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

Systemtic Name: 1-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(3,4-dimethoxyanilino)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C16H24N3O4+ MolecularWeight: 322.37946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)N)OC

InChI

InChI=1S/C16H23N3O4/c1-22-13-4-3-12(9-14(13)23-2)18-15(20)10-19-7-5-11(6-8-19)16(17)21/h3-4,9,11H,5-8,10H2,1-2H3,(H2,17,21)(H,18,20)/p+1