[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(4-methylpiperidin-1-yl)sulfonylphenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]methanone CAS Name: [4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(4-methylpiperidino)sulfonylphenyl]methanone Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O3S/c1-20-11-13-27(14-12-20)31(29,30)23-9-7-22(8-10-23)24(28)26-17-15-25(16-18-26)19-21-5-3-2-4-6-21/h2-10,20H,11-19H2,1H3/p+1