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

Systemtic Name: 1-[2-[(5-azanyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 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-iumcarboxylate IUPAC Name: 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-carboxylate Formula: C15H21N3O4 MolecularWeight: 307.34494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N)NC(=O)C[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)N)NC(=O)C[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C15H21N3O4/c1-22-13-3-2-11(16)8-12(13)17-14(19)9-18-6-4-10(5-7-18)15(20)21/h2-3,8,10H,4-7,9,16H2,1H3,(H,17,19)(H,20,21)