[(2S)-1-[2-[(2-methoxycarbonyl-4-oxidanyl-phenyl)carbamoyl]phenyl]imino-1-piperidin-1-yl-propan-2-yl]azanium bromide

Systemtic Name: [(2S)-1-[2-[(2-methoxycarbonyl-4-oxidanyl-phenyl)carbamoyl]phenyl]imino-1-piperidin-1-yl-propan-2-yl]azanium bromide Openeye Name: [(1S)-2-[2-[(4-hydroxy-2-methoxycarbonyl-phenyl)carbamoyl]phenyl]imino-1-methyl-2-(1-piperidyl)ethyl]ammonium bromide CAS Name: [(2S)-1-[2-[(4-hydroxy-2-methoxycarbonylanilino)-oxomethyl]phenyl]imino-1-(1-piperidinyl)propan-2-yl]ammonium bromide IUPAC Name: [(2S)-1-[2-[(4-hydroxy-2-methoxycarbonylphenyl)carbamoyl]phenyl]imino-1-piperidin-1-ylpropan-2-yl]azanium bromide Traditional Name: [(1S)-2-[2-[(2-carbomethoxy-4-hydroxy-phenyl)carbamoyl]phenyl]imino-1-methyl-2-piperidino-ethyl]ammonium bromide Formula: C23H29BrN4O4 MolecularWeight: 505.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=NC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)O)C(=O)OC)N3CCCCC3)[NH3+].[Br-]

Isomeric SMILES

C[C@@H](C(=NC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)O)C(=O)OC)N3CCCCC3)[NH3+].[Br-]

InChI

InChI=1S/C23H28N4O4.BrH/c1-15(24)21(27-12-6-3-7-13-27)25-19-9-5-4-8-17(19)22(29)26-20-11-10-16(28)14-18(20)23(30)31-2;/h4-5,8-11,14-15,28H,3,6-7,12-13,24H2,1-2H3,(H,26,29);1H/t15-;/m0./s1