N-methylsulfonyl-1-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]pyridin-1-ium-3-carbohydrazide

Systemtic Name: N-methylsulfonyl-1-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]pyridin-1-ium-3-carbohydrazide Openeye Name: 1-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-N-methylsulfonyl-pyridin-1-ium-3-carbohydrazide CAS Name: N-methylsulfonyl-1-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-pyridin-1-iumcarbohydrazide IUPAC Name: 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-methylsulfonylpyridin-1-ium-3-carbohydrazide Traditional Name: 1-[2-(4-benzylpiperidino)-2-keto-ethyl]-N-mesyl-pyridin-1-ium-3-carbohydrazide Formula: C21H27N4O4S+ MolecularWeight: 431.52848

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(C(=O)C1=C[N+](=CC=C1)CC(=O)N2CCC(CC2)CC3=CC=CC=C3)N

Isomeric SMILES

CS(=O)(=O)N(C(=O)C1=C[N+](=CC=C1)CC(=O)N2CCC(CC2)CC3=CC=CC=C3)N

InChI

InChI=1S/C21H27N4O4S/c1-30(28,29)25(22)21(27)19-8-5-11-23(15-19)16-20(26)24-12-9-18(10-13-24)14-17-6-3-2-4-7-17/h2-8,11,15,18H,9-10,12-14,16,22H2,1H3/q+1