(3S)-1-[(2R)-1-oxidanylidene-1-[(4-phenylmethoxyphenyl)amino]propan-2-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2R)-1-oxidanylidene-1-[(4-phenylmethoxyphenyl)amino]propan-2-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1R)-2-(4-benzyloxyanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1R)-2-(4-benzoxyanilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-3-carboxamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)[NH+]3CCC[C@@H](C3)C(=O)N

InChI

InChI=1S/C22H27N3O3/c1-16(25-13-5-8-18(14-25)21(23)26)22(27)24-19-9-11-20(12-10-19)28-15-17-6-3-2-4-7-17/h2-4,6-7,9-12,16,18H,5,8,13-15H2,1H3,(H2,23,26)(H,24,27)/p+1/t16-,18+/m1/s1