7-bromanyl-5-phenyl-4-(2-piperidin-1-ium-1-ylethanoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 7-bromanyl-5-phenyl-4-(2-piperidin-1-ium-1-ylethanoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-bromo-5-phenyl-4-(2-piperidin-1-ium-1-ylacetyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-bromo-4-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-bromo-5-phenyl-4-(2-piperidin-1-ium-1-ylacetyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-5-phenyl-4-(2-piperidin-1-ium-1-ylacetyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C22H25BrN3O2+ MolecularWeight: 443.3568

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)Br

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)Br

InChI

InChI=1S/C22H24BrN3O2/c23-17-9-10-19-18(13-17)22(16-7-3-1-4-8-16)26(14-20(27)24-19)21(28)15-25-11-5-2-6-12-25/h1,3-4,7-10,13,22H,2,5-6,11-12,14-15H2,(H,24,27)/p+1