6-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenanthridine

Systemtic Name: 6-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenanthridine Openeye Name: 6-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenanthridine CAS Name: 6-[[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]phenanthridine IUPAC Name: 6-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenanthridine Traditional Name: 6-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenanthridine Formula: C26H28N3O4S+ MolecularWeight: 478.58322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C5=CC=CC=C53)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C5=CC=CC=C53)OC

InChI

InChI=1S/C26H27N3O4S/c1-32-25-12-11-19(17-26(25)33-2)34(30,31)29-15-13-28(14-16-29)18-24-22-9-4-3-7-20(22)21-8-5-6-10-23(21)27-24/h3-12,17H,13-16,18H2,1-2H3/p+1