[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone

Systemtic Name: [4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone Openeye Name: [4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-[(3S)-1-methylsulfonyl-3-piperidyl]methanone CAS Name: [4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]-[(3S)-1-methylsulfonyl-3-piperidinyl]methanone IUPAC Name: [4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone Traditional Name: [4-(2-chlorobenzyl)piperazin-4-ium-1-yl]-[(3S)-1-mesyl-3-piperidyl]methanone Formula: C18H27ClN3O3S+ MolecularWeight: 400.94328

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3Cl

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C18H26ClN3O3S/c1-26(24,25)22-8-4-6-16(14-22)18(23)21-11-9-20(10-12-21)13-15-5-2-3-7-17(15)19/h2-3,5,7,16H,4,6,8-14H2,1H3/p+1/t16-/m0/s1