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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3/c1-16-7-9-18(10-8-16)15-24-22(28)17(2)26-13-11-19(12-14-26)23(29)25-20-5-3-4-6-21(20)27/h3-10,17,19,27H,11-15H2,1-2H3,(H,24,28)(H,25,29)/p+1/t17-/m0/s1