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

Systemtic Name: (3S)-1-[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(4-carbamoylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(4-carbamoylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(4-carbamoylanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylate Formula: C15H19N3O4 MolecularWeight: 305.32906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=CC=C(C=C2)C(=O)N)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC2=CC=C(C=C2)C(=O)N)C(=O)[O-]

InChI

InChI=1S/C15H19N3O4/c16-14(20)10-3-5-12(6-4-10)17-13(19)9-18-7-1-2-11(8-18)15(21)22/h3-6,11H,1-2,7-9H2,(H2,16,20)(H,17,19)(H,21,22)/t11-/m0/s1