6-methoxy-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 6-methoxy-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-4-(4-benzylpiperazin-4-ium-1-yl)-6-methoxy-quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-methoxy-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-4-(4-benzylpiperazin-4-ium-1-yl)-6-methoxyquinolin-1-ium Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-besyl-6-methoxy-quinolin-1-ium Formula: C27H29N3O3S+2 MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O3S/c1-33-22-12-13-25-24(18-22)27(26(19-28-25)34(31,32)23-10-6-3-7-11-23)30-16-14-29(15-17-30)20-21-8-4-2-5-9-21/h2-13,18-19H,14-17,20H2,1H3/p+2