ethyl 1-[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-oxo-2-(4-phenylazoanilino)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(4-phenylazoanilino)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O3/c1-2-29-22(28)17-12-14-26(15-13-17)16-21(27)23-18-8-10-20(11-9-18)25-24-19-6-4-3-5-7-19/h3-11,17H,2,12-16H2,1H3,(H,23,27)/p+1