[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(4-chlorophenyl)sulfonyl-4-piperidyl]methanone CAS Name: [1-(4-chlorophenyl)sulfonyl-4-piperidinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(4-chlorophenyl)sulfonyl-4-piperidyl]methanone Formula: C23H29ClN3O3S+ MolecularWeight: 463.01266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H28ClN3O3S/c24-21-6-8-22(9-7-21)31(29,30)27-12-10-20(11-13-27)23(28)26-16-14-25(15-17-26)18-19-4-2-1-3-5-19/h1-9,20H,10-18H2/p+1