methyl 1-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C21H33N3O3+2 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O3/c1-27-21(26)18-7-11-24(12-8-18)16-20(25)22-19-9-13-23(14-10-19)15-17-5-3-2-4-6-17/h2-6,18-19H,7-16H2,1H3,(H,22,25)/p+2