(3S)-1-[(1S)-2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(1S)-2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1S)-2-(3-chloro-4-methyl-anilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1S)-2-(3-chloro-4-methyl-anilino)-2-keto-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCCC(C3)C(=O)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCC[C@@H](C3)C(=O)N)Cl

InChI

InChI=1S/C21H24ClN3O2/c1-14-9-10-17(12-18(14)22)24-21(27)19(15-6-3-2-4-7-15)25-11-5-8-16(13-25)20(23)26/h2-4,6-7,9-10,12,16,19H,5,8,11,13H2,1H3,(H2,23,26)(H,24,27)/p+1/t16-,19-/m0/s1