1-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C21H25BrN3O3+ MolecularWeight: 447.3455

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3/c1-14-12-16(6-7-17(14)22)23-20(27)13-25-10-8-15(9-11-25)21(28)24-18-4-2-3-5-19(18)26/h2-7,12,15,26H,8-11,13H2,1H3,(H,23,27)(H,24,28)/p+1