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

Systemtic Name: [(2S)-1-[2-[(2-methoxycarbonylphenyl)carbamoyl]phenyl]imino-1-piperidin-1-yl-propan-2-yl]azanium bromide Openeye Name: [(1S)-2-[2-[(2-methoxycarbonylphenyl)carbamoyl]phenyl]imino-1-methyl-2-(1-piperidyl)ethyl]ammonium bromide CAS Name: [(2S)-1-[2-[(2-methoxycarbonylanilino)-oxomethyl]phenyl]imino-1-(1-piperidinyl)propan-2-yl]ammonium bromide IUPAC Name: [(2S)-1-[2-[(2-methoxycarbonylphenyl)carbamoyl]phenyl]imino-1-piperidin-1-ylpropan-2-yl]azanium bromide Traditional Name: [(1S)-2-[2-[(2-carbomethoxyphenyl)carbamoyl]phenyl]imino-1-methyl-2-piperidino-ethyl]ammonium bromide Formula: C23H29BrN4O3 MolecularWeight: 489.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=NC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)OC)N3CCCCC3)[NH3+].[Br-]

Isomeric SMILES

C[C@@H](C(=NC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)OC)N3CCCCC3)[NH3+].[Br-]

InChI

InChI=1S/C23H28N4O3.BrH/c1-16(24)21(27-14-8-3-9-15-27)25-19-12-6-4-10-17(19)22(28)26-20-13-7-5-11-18(20)23(29)30-2;/h4-7,10-13,16H,3,8-9,14-15,24H2,1-2H3,(H,26,28);1H/t16-;/m0./s1