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

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H34N4O3+2 MolecularWeight: 390.51966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H32N4O3/c1-2-28-21(27)25-14-12-24(13-15-25)17-20(26)22-19-8-10-23(11-9-19)16-18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3,(H,22,26)/p+2