4-[[6-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyridin-1-ium-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[6-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyridin-1-ium-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[6-[(2R)-2-(2-hydroxyethyl)-1-piperidyl]pyridin-1-ium-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[6-[(2R)-2-(2-hydroxyethyl)-1-piperidinyl]-3-pyridin-1-iumyl]amino]-4-oxobutanoate IUPAC Name: 4-[[6-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyridin-1-ium-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[6-[(2R)-2-(2-hydroxyethyl)piperidino]pyridin-1-ium-3-yl]amino]-4-keto-butyrate Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCO)C2=[NH+]C=C(C=C2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1CCN([C@H](C1)CCO)C2=[NH+]C=C(C=C2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H23N3O4/c20-10-8-13-3-1-2-9-19(13)14-5-4-12(11-17-14)18-15(21)6-7-16(22)23/h4-5,11,13,20H,1-3,6-10H2,(H,18,21)(H,22,23)/t13-/m1/s1