2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone CAS Name: 2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H29N3O3S/c1-17-7-5-6-10-21(17)15-19(23)20-11-13-22(14-12-20)26(24,25)16-18-8-3-2-4-9-18/h2-4,8-9,17H,5-7,10-16H2,1H3/p+1/t17-/m0/s1