[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-azanylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C15H22N3O3+ MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)COC(=O)C2=C([NH+]=CC=C2)N

Isomeric SMILES

C1CCCC(CC1)NC(=O)COC(=O)C2=C([NH+]=CC=C2)N

InChI

InChI=1S/C15H21N3O3/c16-14-12(8-5-9-17-14)15(20)21-10-13(19)18-11-6-3-1-2-4-7-11/h5,8-9,11H,1-4,6-7,10H2,(H2,16,17)(H,18,19)/p+1