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

Systemtic Name: (3S)-1-[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3/c1-28-19-10-9-16(22)12-18(19)24-20(26)14-25-11-5-6-15(13-25)21(27)23-17-7-3-2-4-8-17/h2-4,7-10,12,15H,5-6,11,13-14H2,1H3,(H,23,27)(H,24,26)/p+1/t15-/m0/s1