6-chloranyl-3-(4-methoxyphenyl)sulfonyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinoline

Systemtic Name: 6-chloranyl-3-(4-methoxyphenyl)sulfonyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinoline Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-chloro-3-(4-methoxyphenyl)sulfonyl-quinoline CAS Name: 6-chloro-3-(4-methoxyphenyl)sulfonyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]quinoline IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-chloro-3-(4-methoxyphenyl)sulfonylquinoline Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-chloro-3-(4-methoxyphenyl)sulfonyl-quinoline Formula: C27H27ClN3O3S+ MolecularWeight: 509.03958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=CN=C3C=CC(=CC3=C2N4CC[NH+](CC4)CC5=CC=CC=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=CN=C3C=CC(=CC3=C2N4CC[NH+](CC4)CC5=CC=CC=C5)Cl

InChI

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