2-[4-[2-(2-chlorophenyl)quinolin-4-yl]carbonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-(2-chlorophenyl)quinolin-4-yl]carbonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[2-(2-chlorophenyl)-4-quinolinyl]-oxomethyl]-1,4-diazepan-1-ium-1-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]-1,4-diazepan-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C27H30ClN4O2+ MolecularWeight: 478.0057

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl

InChI

InChI=1S/C27H29ClN4O2/c28-23-10-3-1-9-21(23)25-18-22(20-8-2-4-11-24(20)29-25)27(34)32-15-7-12-30(16-17-32)19-26(33)31-13-5-6-14-31/h1-4,8-11,18H,5-7,12-17,19H2/p+1