1-[(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3/c1-15-7-6-8-16(2)21(15)25-22(28)17(3)26-13-11-18(12-14-26)23(29)24-19-9-4-5-10-20(19)27/h4-10,17-18,27H,11-14H2,1-3H3,(H,24,29)(H,25,28)/p+1/t17-/m0/s1