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

Systemtic Name: [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]methanone CAS Name: [1-(4-methoxyphenyl)sulfonyl-4-piperidinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]methanone Formula: C24H32N3O4S+ MolecularWeight: 458.59358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4S/c1-31-22-7-9-23(10-8-22)32(29,30)27-13-11-21(12-14-27)24(28)26-17-15-25(16-18-26)19-20-5-3-2-4-6-20/h2-10,21H,11-19H2,1H3/p+1