methyl 1-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C14H19ClN3O3+ MolecularWeight: 312.77196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(N=CC=C2)Cl

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(N=CC=C2)Cl

InChI

InChI=1S/C14H18ClN3O3/c1-21-14(20)10-4-7-18(8-5-10)9-12(19)17-11-3-2-6-16-13(11)15/h2-3,6,10H,4-5,7-9H2,1H3,(H,17,19)/p+1