azanium; [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine; methanal; 1-phenylethanone; sulfuric acid; thiocyanate

Systemtic Name: azanium; [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine; methanal; 1-phenylethanone; sulfuric acid; thiocyanate Openeye Name: ammonium; [(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine; formaldehyde; 1-phenylethanone; sulfuric acid; thiocyanate CAS Name: ammonium; [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine; formaldehyde; 1-phenylethanone; sulfuric acid; thiocyanate IUPAC Name: azanium; [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine; formaldehyde; 1-phenylethanone; sulfuric acid; thiocyanate Traditional Name: ammonium; [(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylamine; acetophenone; formaldehyde; sulfuric acid; thiocyanate Formula: C30H47N3O6S2 MolecularWeight: 609.84068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)C.CC(=O)C1=CC=CC=C1.C=O.C(#N)[S-].[NH4+].OS(=O)(=O)O

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CN)C.CC(=O)C1=CC=CC=C1.C=O.C(#N)[S-].[NH4+].OS(=O)(=O)O

InChI

InChI=1S/C20H31N.C8H8O.CHNS.CH2O.H3N.H2O4S/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4;1-7(9)8-5-3-2-4-6-8;2-1-3;1-2;;1-5(2,3)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3;2-6H,1H3;3H;1H2;1H3;(H2,1,2,3,4)/t18-,19-,20+;;;;;/m0...../s1