1-[(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(2-bromo-4-methyl-anilino)-1-methyl-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-(2-bromo-4-methyl-anilino)-2-keto-1-methyl-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C22H27BrN3O3+ MolecularWeight: 461.37208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O3/c1-14-7-8-18(17(23)13-14)24-21(28)15(2)26-11-9-16(10-12-26)22(29)25-19-5-3-4-6-20(19)27/h3-8,13,15-16,27H,9-12H2,1-2H3,(H,24,28)(H,25,29)/p+1/t15-/m0/s1