(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl-trimethyl-azanium iodide

Systemtic Name: (1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl-trimethyl-azanium iodide Openeye Name: (7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl-trimethyl-ammonium iodide CAS Name: (1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl-trimethylammonium iodide IUPAC Name: (1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl-trimethylazanium iodide Traditional Name: (7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl-trimethyl-ammonium iodide Formula: C23H38IN MolecularWeight: 455.45899

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C[N+](C)(C)C)C.[I-]

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C[N+](C)(C)C)C.[I-]

InChI

InChI=1S/C23H38N.HI/c1-17(2)18-9-11-20-19(15-18)10-12-21-22(3,16-24(5,6)7)13-8-14-23(20,21)4;/h9,11,15,17,21H,8,10,12-14,16H2,1-7H3;1H/q+1;/p-1