4-[[4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]anilino]-4-oxo-butanoate CAS Name: 4-[4-[[(2R)-2-ethyl-1-piperidin-1-iumyl]methyl]anilino]-4-oxobutanoate IUPAC Name: 4-[4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]anilino]-4-oxobutanoate Traditional Name: 4-[4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]anilino]-4-keto-butyrate Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=CC=C(C=C2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC[C@@H]1CCCC[NH+]1CC2=CC=C(C=C2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C18H26N2O3/c1-2-16-5-3-4-12-20(16)13-14-6-8-15(9-7-14)19-17(21)10-11-18(22)23/h6-9,16H,2-5,10-13H2,1H3,(H,19,21)(H,22,23)/t16-/m1/s1