2-[4-[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonyl-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonyl-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]-1,4-diazepan-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[[2-(2,4-dimethylphenyl)-4-quinolinyl]-oxomethyl]-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]-1,4-diazepan-1-ium-1-yl]-N-isopropyl-acetamide Formula: C28H35N4O2+ MolecularWeight: 459.6031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCC[NH+](CC4)CC(=O)NC(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCC[NH+](CC4)CC(=O)NC(C)C)C

InChI

InChI=1S/C28H34N4O2/c1-19(2)29-27(33)18-31-12-7-13-32(15-14-31)28(34)24-17-26(22-11-10-20(3)16-21(22)4)30-25-9-6-5-8-23(24)25/h5-6,8-11,16-17,19H,7,12-15,18H2,1-4H3,(H,29,33)/p+1