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

Systemtic Name: ethyl 4-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[(1-ethoxycarbonyl-4-piperidyl)amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[(1-ethoxycarbonyl-4-piperidinyl)amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[(1-carbethoxy-4-piperidyl)amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H31N4O5+ MolecularWeight: 371.45184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C17H30N4O5/c1-3-25-16(23)20-7-5-14(6-8-20)18-15(22)13-19-9-11-21(12-10-19)17(24)26-4-2/h14H,3-13H2,1-2H3,(H,18,22)/p+1