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

Systemtic Name: 1,1-dimethyl-4-(phenylsulfonyl)-2-propan-2-yl-3-propoxy-indol-1-ium Openeye Name: 4-(benzenesulfonyl)-2-isopropyl-1,1-dimethyl-3-propoxy-indol-1-ium CAS Name: 4-(benzenesulfonyl)-1,1-dimethyl-2-propan-2-yl-3-propoxyindol-1-ium IUPAC Name: 4-(benzenesulfonyl)-1,1-dimethyl-2-propan-2-yl-3-propoxyindol-1-ium Traditional Name: 4-besyl-2-isopropyl-1,1-dimethyl-3-propoxy-indol-1-ium Formula: C22H28NO3S+ MolecularWeight: 386.52762

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H28NO3S/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/h7-14,16H,6,15H2,1-5H3/q+1