(3S)-1-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-(5-chloro-2,4-dimethoxy-anilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-(5-chloro-2,4-dimethoxy-anilino)-2-keto-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C22H27ClN3O4+ MolecularWeight: 432.92048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C22H26ClN3O4/c1-29-19-12-20(30-2)18(11-17(19)23)25-21(27)14-26-10-6-7-15(13-26)22(28)24-16-8-4-3-5-9-16/h3-5,8-9,11-12,15H,6-7,10,13-14H2,1-2H3,(H,24,28)(H,25,27)/p+1/t15-/m0/s1