(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[4-methyl-3-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-methyl-3-(1-piperidinylsulfonyl)phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidinosulfonyl-phenyl)methanone Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

InChI

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