(3S)-1-[5-[(4-oxidanidyl-4-oxidanylidene-butanoyl)amino]pyridin-1-ium-2-yl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[5-[(4-oxidanidyl-4-oxidanylidene-butanoyl)amino]pyridin-1-ium-2-yl]piperidine-3-carboxylate Openeye Name: (3S)-1-[5-[(4-oxido-4-oxo-butanoyl)amino]pyridin-1-ium-2-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[5-[(4-oxido-1,4-dioxobutyl)amino]-2-pyridin-1-iumyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[5-[(4-oxido-4-oxobutanoyl)amino]pyridin-1-ium-2-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[5-[(4-keto-4-oxido-butanoyl)amino]pyridin-1-ium-2-yl]nipecotate Formula: C15H18N3O5- MolecularWeight: 320.32052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C=C(C=C2)NC(=O)CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C2=[NH+]C=C(C=C2)NC(=O)CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H19N3O5/c19-13(5-6-14(20)21)17-11-3-4-12(16-8-11)18-7-1-2-10(9-18)15(22)23/h3-4,8,10H,1-2,5-7,9H2,(H,17,19)(H,20,21)(H,22,23)/p-1/t10-/m0/s1