1,1-dimethyl-4-(phenylsulfonyl)-2-propan-2-yl-3-propoxy-indol-1-ium; 1,2,3,4-tetrahydronaphthalen-1-amine

Systemtic Name: 1,1-dimethyl-4-(phenylsulfonyl)-2-propan-2-yl-3-propoxy-indol-1-ium; 1,2,3,4-tetrahydronaphthalen-1-amine Openeye Name: 4-(benzenesulfonyl)-2-isopropyl-1,1-dimethyl-3-propoxy-indol-1-ium; tetralin-1-amine CAS Name: 4-(benzenesulfonyl)-1,1-dimethyl-2-propan-2-yl-3-propoxyindol-1-ium; 1,2,3,4-tetrahydronaphthalen-1-amine IUPAC Name: 4-(benzenesulfonyl)-1,1-dimethyl-2-propan-2-yl-3-propoxyindol-1-ium; 1,2,3,4-tetrahydronaphthalen-1-amine Traditional Name: 4-besyl-2-isopropyl-1,1-dimethyl-3-propoxy-indol-1-ium; tetralin-1-ylamine Formula: C32H41N2O3S+ MolecularWeight: 533.74454

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C([N+](C2=C1C(=CC=C2)S(=O)(=O)C3=CC=CC=C3)(C)C)C(C)C.C1CC(C2=CC=CC=C2C1)N

Isomeric SMILES

CCCOC1=C([N+](C2=C1C(=CC=C2)S(=O)(=O)C3=CC=CC=C3)(C)C)C(C)C.C1CC(C2=CC=CC=C2C1)N

InChI

InChI=1S/C22H28NO3S.C10H13N/c1-6-15-26-22-20-18(23(4,5)21(22)16(2)3)13-10-14-19(20)27(24,25)17-11-8-7-9-12-17;11-10-7-3-5-8-4-1-2-6-9(8)10/h7-14,16H,6,15H2,1-5H3;1-2,4,6,10H,3,5,7,11H2/q+1;