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

Systemtic Name: N-(2-hydroxyphenyl)-1-[(2S)-1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-[(1S)-1-methyl-2-(2-methylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[(2S)-1-(2-methylanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-[(2S)-1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-[(1S)-2-keto-1-methyl-2-(o-toluidino)ethyl]piperidin-1-ium-4-carboxamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O

InChI

InChI=1S/C22H27N3O3/c1-15-7-3-4-8-18(15)23-21(27)16(2)25-13-11-17(12-14-25)22(28)24-19-9-5-6-10-20(19)26/h3-10,16-17,26H,11-14H2,1-2H3,(H,23,27)(H,24,28)/p+1/t16-/m0/s1