(5S)-7-bromanyl-4-(3-morpholin-4-ium-4-ylpropanoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: (5S)-7-bromanyl-4-(3-morpholin-4-ium-4-ylpropanoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: (5S)-7-bromo-4-(3-morpholin-4-ium-4-ylpropanoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: (5S)-7-bromo-4-[3-(4-morpholin-4-iumyl)-1-oxopropyl]-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: (5S)-7-bromo-4-(3-morpholin-4-ium-4-ylpropanoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: (5S)-7-bromo-4-(3-morpholin-4-ium-4-ylpropanoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C22H25BrN3O3+ MolecularWeight: 459.3562

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)Br

Isomeric SMILES

C1COCC[NH+]1CCC(=O)N2CC(=O)NC3=C([C@@H]2C4=CC=CC=C4)C=C(C=C3)Br

InChI

InChI=1S/C22H24BrN3O3/c23-17-6-7-19-18(14-17)22(16-4-2-1-3-5-16)26(15-20(27)24-19)21(28)8-9-25-10-12-29-13-11-25/h1-7,14,22H,8-13,15H2,(H,24,27)/p+1/t22-/m0/s1