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

Systemtic Name: 1-[(2S)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(4-bromoanilino)-1-methyl-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-(4-bromoanilino)-2-keto-1-methyl-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C21H25BrN3O2+ MolecularWeight: 431.3461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)Br)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24BrN3O2/c1-15(20(26)23-19-9-7-17(22)8-10-19)25-13-11-16(12-14-25)21(27)24-18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,23,26)(H,24,27)/p+1/t15-/m0/s1