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

Systemtic Name: 2-[4-[2-(4-chlorophenyl)quinolin-4-yl]carbonyl-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]-1,4-diazepan-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[[2-(4-chlorophenyl)-4-quinolinyl]-oxomethyl]-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]-1,4-diazepan-1-ium-1-yl]-N-isopropyl-acetamide Formula: C26H30ClN4O2+ MolecularWeight: 465.995

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H29ClN4O2/c1-18(2)28-25(32)17-30-12-5-13-31(15-14-30)26(33)22-16-24(19-8-10-20(27)11-9-19)29-23-7-4-3-6-21(22)23/h3-4,6-11,16,18H,5,12-15,17H2,1-2H3,(H,28,32)/p+1