1-[3-[(3-chlorophenyl)amino]-3-oxidanylidene-propyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[3-[(3-chlorophenyl)amino]-3-oxidanylidene-propyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[3-(3-chloroanilino)-3-oxo-propyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[3-(3-chloroanilino)-3-oxopropyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[3-(3-chloroanilino)-3-oxopropyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[3-(3-chloroanilino)-3-keto-propyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CCC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CCC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H24ClN3O3/c22-16-4-3-5-17(14-16)23-20(27)10-13-25-11-8-15(9-12-25)21(28)24-18-6-1-2-7-19(18)26/h1-7,14-15,26H,8-13H2,(H,23,27)(H,24,28)/p+1