ethyl 1-[2-[(5-azanyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[(5-azanyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(5-amino-2-methoxy-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(5-amino-2-methoxy-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4/c1-3-24-17(22)12-6-8-20(9-7-12)11-16(21)19-14-10-13(18)4-5-15(14)23-2/h4-5,10,12H,3,6-9,11,18H2,1-2H3,(H,19,21)/p+1