N-tert-butyl-2-[4-(3-methylbenzo[g][1]benzofuran-2-yl)carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(3-methylbenzo[g][1]benzofuran-2-yl)carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(3-methylbenzo[g]benzofuran-2-carbonyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(3-methyl-2-benzo[g]benzofuranyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(3-methylbenzo[g]benzofuran-2-carbonyl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C25H32N3O3+ MolecularWeight: 422.53988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)N4CCC[NH+](CC4)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)N4CCC[NH+](CC4)CC(=O)NC(C)(C)C

InChI

InChI=1S/C25H31N3O3/c1-17-19-11-10-18-8-5-6-9-20(18)23(19)31-22(17)24(30)28-13-7-12-27(14-15-28)16-21(29)26-25(2,3)4/h5-6,8-11H,7,12-16H2,1-4H3,(H,26,29)/p+1