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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1CCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

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