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

Systemtic Name: (3S)-1-[2-[(3-azanyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(3-amino-4-methoxy-anilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(3-amino-4-methoxyanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(3-amino-4-methoxyanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(3-amino-4-methoxy-anilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylate Formula: C15H21N3O4 MolecularWeight: 307.34494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)[O-])N

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC[C@@H](C2)C(=O)[O-])N

InChI

InChI=1S/C15H21N3O4/c1-22-13-5-4-11(7-12(13)16)17-14(19)9-18-6-2-3-10(8-18)15(20)21/h4-5,7,10H,2-3,6,8-9,16H2,1H3,(H,17,19)(H,20,21)/t10-/m0/s1