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

Systemtic Name: 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinolin-1-ium Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-(4-chlorophenyl)sulfonyl-6-methoxy-quinolin-1-ium CAS Name: 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]quinolin-1-ium IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-1-ium Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-(4-chlorophenyl)sulfonyl-6-methoxy-quinolin-1-ium Formula: C27H28ClN3O3S+2 MolecularWeight: 510.04752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26ClN3O3S/c1-34-22-9-12-25-24(17-22)27(26(18-29-25)35(32,33)23-10-7-21(28)8-11-23)31-15-13-30(14-16-31)19-20-5-3-2-4-6-20/h2-12,17-18H,13-16,19H2,1H3/p+2