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

Systemtic Name: (3S)-1-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(3,4-dimethoxyanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylate Formula: C16H22N2O5 MolecularWeight: 322.35628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC[C@@H](C2)C(=O)[O-])OC

InChI

InChI=1S/C16H22N2O5/c1-22-13-6-5-12(8-14(13)23-2)17-15(19)10-18-7-3-4-11(9-18)16(20)21/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,17,19)(H,20,21)/t11-/m0/s1