[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone

Systemtic Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone Openeye Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-[2-(3-pyridyl)-4-quinolyl]methanone CAS Name: [4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-[2-(3-pyridinyl)-4-quinolinyl]methanone IUPAC Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone Traditional Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-[2-(3-pyridyl)-4-quinolyl]methanone Formula: C27H27N4O2+ MolecularWeight: 439.52888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C27H26N4O2/c32-27(31-15-13-30(14-16-31)17-18-33-22-8-2-1-3-9-22)24-19-26(21-7-6-12-28-20-21)29-25-11-5-4-10-23(24)25/h1-12,19-20H,13-18H2/p+1