2-(azepan-1-ium-1-yl)-N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)acetamide Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C[NH+]3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C[NH+]3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O/c1-18-23(19-11-5-4-6-12-19)24(26-21-14-8-7-13-20(21)25-18)27-22(29)17-28-15-9-2-3-10-16-28/h4-8,11-14,25H,2-3,9-10,15-17H2,1H3,(H,26,27,29)/p+1