[4-(diphenylmethyl)piperazin-4-ium-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[(3S)-1-methylsulfonyl-3-piperidyl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[(3S)-1-methylsulfonyl-3-piperidinyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[(3S)-1-mesyl-3-piperidyl]methanone Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H31N3O3S/c1-31(29,30)27-14-8-13-22(19-27)24(28)26-17-15-25(16-18-26)23(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,22-23H,8,13-19H2,1H3/p+1/t22-/m0/s1