[(3R)-1-methylsulfonylpiperidin-3-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [(3R)-1-methylsulfonylpiperidin-3-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[(3R)-1-methylsulfonyl-3-piperidyl]methanone CAS Name: [(3R)-1-methylsulfonyl-3-piperidinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[(3R)-1-mesyl-3-piperidyl]methanone Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCC[C@H](C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H27N3O3S/c1-25(23,24)21-9-5-8-17(15-21)18(22)20-12-10-19(11-13-20)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3/p+1/t17-/m1/s1