(3R)-3-(azepan-1-ium-1-yl)-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: (3R)-3-(azepan-1-ium-1-yl)-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: (3R)-3-(azepan-1-ium-1-yl)-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: (3R)-3-(1-azepan-1-iumyl)-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: (3R)-3-(azepan-1-ium-1-yl)-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: (3R)-3-(azepan-1-ium-1-yl)-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C21H24N3O+ MolecularWeight: 334.43476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2C(=NC3=CC=CC=C3NC2=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2C(=NC3=CC=CC=C3NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O/c25-21-20(24-14-8-1-2-9-15-24)19(16-10-4-3-5-11-16)22-17-12-6-7-13-18(17)23-21/h3-7,10-13,20H,1-2,8-9,14-15H2,(H,23,25)/p+1/t20-/m1/s1