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

Systemtic Name: (3S)-1-[(2R)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1R)-2-(4-bromoanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1R)-2-(4-bromoanilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-3-carboxamide Formula: C15H21BrN3O2+ MolecularWeight: 355.25014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)Br)[NH+]2CCC[C@@H](C2)C(=O)N

InChI

InChI=1S/C15H20BrN3O2/c1-10(19-8-2-3-11(9-19)14(17)20)15(21)18-13-6-4-12(16)5-7-13/h4-7,10-11H,2-3,8-9H2,1H3,(H2,17,20)(H,18,21)/p+1/t10-,11+/m1/s1