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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

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