2-oxidanylidene-1-(1-pyridin-4-ylpiperidin-4-yl)-1,2-diazepan-2-ium-4-carboxylate

Systemtic Name: 2-oxidanylidene-1-(1-pyridin-4-ylpiperidin-4-yl)-1,2-diazepan-2-ium-4-carboxylate Openeye Name: 2-oxo-1-[1-(4-pyridyl)-4-piperidyl]diazepan-2-ium-4-carboxylate CAS Name: 2-oxo-1-(1-pyridin-4-yl-4-piperidinyl)-4-diazepan-2-iumcarboxylate IUPAC Name: 2-oxo-1-(1-pyridin-4-ylpiperidin-4-yl)diazepan-2-ium-4-carboxylate Traditional Name: 2-keto-1-[1-(4-pyridyl)-4-piperidyl]diazepan-2-ium-4-carboxylate Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[N+](=O)N(C1)C2CCN(CC2)C3=CC=NC=C3)C(=O)[O-]

Isomeric SMILES

C1CC(C[N+](=O)N(C1)C2CCN(CC2)C3=CC=NC=C3)C(=O)[O-]

InChI

InChI=1S/C16H22N4O3/c21-16(22)13-2-1-9-19(20(23)12-13)15-5-10-18(11-6-15)14-3-7-17-8-4-14/h3-4,7-8,13,15H,1-2,5-6,9-12H2