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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O

InChI

InChI=1S/C22H27N3O3/c1-16(21(27)23-15-17-7-3-2-4-8-17)25-13-11-18(12-14-25)22(28)24-19-9-5-6-10-20(19)26/h2-10,16,18,26H,11-15H2,1H3,(H,23,27)(H,24,28)/p+1/t16-/m0/s1