(3S)-1-[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-(3,5-dimethoxyanilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-(3,5-dimethoxyanilino)-2-keto-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3)OC

InChI

InChI=1S/C22H27N3O4/c1-28-19-11-18(12-20(13-19)29-2)23-21(26)15-25-10-6-7-16(14-25)22(27)24-17-8-4-3-5-9-17/h3-5,8-9,11-13,16H,6-7,10,14-15H2,1-2H3,(H,23,26)(H,24,27)/p+1/t16-/m0/s1