1-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(2,3-dimethylanilino)-2-keto-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-15-6-5-8-18(16(15)2)23-21(27)14-25-12-10-17(11-13-25)22(28)24-19-7-3-4-9-20(19)26/h3-9,17,26H,10-14H2,1-2H3,(H,23,27)(H,24,28)/p+1