[1-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperidin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [1-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperidin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(3-chloro-4-methoxy-phenyl)sulfonyl-4-piperidyl]methanone CAS Name: [1-(3-chloro-4-methoxyphenyl)sulfonyl-4-piperidinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(3-chloro-4-methoxy-phenyl)sulfonyl-4-piperidyl]methanone Formula: C24H31ClN3O4S+ MolecularWeight: 493.03864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H30ClN3O4S/c1-32-23-8-7-21(17-22(23)25)33(30,31)28-11-9-20(10-12-28)24(29)27-15-13-26(14-16-27)18-19-5-3-2-4-6-19/h2-8,17,20H,9-16,18H2,1H3/p+1