ethyl (3S)-1-[2-[(4-azanyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(4-azanyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(4-amino-2-methoxy-anilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(4-amino-2-methoxyanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-amino-2-methoxyanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(4-amino-2-methoxy-anilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=C(C=C(C=C2)N)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=C(C=C(C=C2)N)OC

InChI

InChI=1S/C17H25N3O4/c1-3-24-17(22)12-5-4-8-20(10-12)11-16(21)19-14-7-6-13(18)9-15(14)23-2/h6-7,9,12H,3-5,8,10-11,18H2,1-2H3,(H,19,21)/p+1/t12-/m0/s1