6,7-dimethoxy-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(phenylsulfonyl)quinoline

Systemtic Name: 6,7-dimethoxy-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(phenylsulfonyl)quinoline Openeye Name: 3-(benzenesulfonyl)-4-(4-benzylpiperazin-4-ium-1-yl)-6,7-dimethoxy-quinoline CAS Name: 3-(benzenesulfonyl)-6,7-dimethoxy-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]quinoline IUPAC Name: 3-(benzenesulfonyl)-4-(4-benzylpiperazin-4-ium-1-yl)-6,7-dimethoxyquinoline Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-besyl-6,7-dimethoxy-quinoline Formula: C28H30N3O4S+ MolecularWeight: 504.6205

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)S(=O)(=O)C3=CC=CC=C3)N4CC[NH+](CC4)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)S(=O)(=O)C3=CC=CC=C3)N4CC[NH+](CC4)CC5=CC=CC=C5)OC

InChI

InChI=1S/C28H29N3O4S/c1-34-25-17-23-24(18-26(25)35-2)29-19-27(36(32,33)22-11-7-4-8-12-22)28(23)31-15-13-30(14-16-31)20-21-9-5-3-6-10-21/h3-12,17-19H,13-16,20H2,1-2H3/p+1