1-[2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(4-chloro-2-methoxy-5-methyl-anilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H26ClN3O3/c1-15-12-19(20(29-2)13-18(15)23)25-21(27)14-26-10-8-16(9-11-26)22(28)24-17-6-4-3-5-7-17/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,24,28)(H,25,27)/p+1