1-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O)C

InChI

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