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

Systemtic Name: 2-[4-[2-(4-chlorophenyl)quinolin-4-yl]carbonyl-1,4-diazepan-1-ium-1-yl]-N,N-diethyl-ethanamide Openeye Name: 2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]-1,4-diazepan-1-ium-1-yl]-N,N-diethyl-acetamide CAS Name: 2-[4-[[2-(4-chlorophenyl)-4-quinolinyl]-oxomethyl]-1,4-diazepan-1-ium-1-yl]-N,N-diethylacetamide IUPAC Name: 2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]-1,4-diazepan-1-ium-1-yl]-N,N-diethylacetamide Traditional Name: 2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]-1,4-diazepan-1-ium-1-yl]-N,N-diethyl-acetamide Formula: C27H32ClN4O2+ MolecularWeight: 480.02158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31ClN4O2/c1-3-31(4-2)26(33)19-30-14-7-15-32(17-16-30)27(34)23-18-25(20-10-12-21(28)13-11-20)29-24-9-6-5-8-22(23)24/h5-6,8-13,18H,3-4,7,14-17,19H2,1-2H3/p+1