2-[4-methyl-3-oxidanylidene-4-[(2-phenyl-1H-imidazol-3-ium-3-yl)methylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-4-ium-2-yl]ethanoic acid

Systemtic Name: 2-[4-methyl-3-oxidanylidene-4-[(2-phenyl-1H-imidazol-3-ium-3-yl)methylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-4-ium-2-yl]ethanoic acid Openeye Name: 2-[4-methyl-3-oxo-4-[(2-phenyl-1H-imidazol-3-ium-3-yl)methylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-4-ium-2-yl]acetic acid CAS Name: 2-[4-methyl-3-oxo-4-[oxo-[(2-phenyl-1H-imidazol-3-ium-3-yl)methylamino]methyl]-2,5-dihydro-1H-1,4-benzodiazepin-4-ium-2-yl]acetic acid IUPAC Name: 2-[4-methyl-3-oxo-4-[(2-phenyl-1H-imidazol-3-ium-3-yl)methylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-4-ium-2-yl]acetic acid Traditional Name: 2-[3-keto-4-methyl-4-[(2-phenyl-1H-imidazol-3-ium-3-yl)methylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-4-ium-2-yl]acetic acid Formula: C23H25N5O4+2 MolecularWeight: 435.4757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2=CC=CC=C2NC(C1=O)CC(=O)O)C(=O)NC[N+]3=C(NC=C3)C4=CC=CC=C4

Isomeric SMILES

C[N+]1(CC2=CC=CC=C2NC(C1=O)CC(=O)O)C(=O)NC[N+]3=C(NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O4/c1-28(14-17-9-5-6-10-18(17)26-19(22(28)31)13-20(29)30)23(32)25-15-27-12-11-24-21(27)16-7-3-2-4-8-16/h2-12,19,26H,13-15H2,1H3,(H-,25,29,30,32)/p+2