(2R)-4-[(4-ethylphenyl)amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-[(4-ethylphenyl)amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(4-ethylanilino)-4-oxo-2-piperidin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(4-ethylanilino)-4-oxo-2-(1-piperidin-1-iumyl)butanoate IUPAC Name: (2R)-4-(4-ethylanilino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-(4-ethylanilino)-4-keto-2-piperidin-1-ium-1-yl-butyrate Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH+]2CCCCC2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH+]2CCCCC2

InChI

InChI=1S/C17H24N2O3/c1-2-13-6-8-14(9-7-13)18-16(20)12-15(17(21)22)19-10-4-3-5-11-19/h6-9,15H,2-5,10-12H2,1H3,(H,18,20)(H,21,22)/t15-/m1/s1