(6-chloranyl-2-pyridin-3-yl-quinolin-4-yl)-[4-[(E)-2-phenylethenyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (6-chloranyl-2-pyridin-3-yl-quinolin-4-yl)-[4-[(E)-2-phenylethenyl]piperazin-4-ium-1-yl]methanone Openeye Name: [6-chloro-2-(3-pyridyl)-4-quinolyl]-[4-[(E)-styryl]piperazin-4-ium-1-yl]methanone CAS Name: [6-chloro-2-(3-pyridinyl)-4-quinolinyl]-[4-[(E)-2-phenylethenyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (6-chloro-2-pyridin-3-ylquinolin-4-yl)-[4-[(E)-2-phenylethenyl]piperazin-4-ium-1-yl]methanone Traditional Name: [6-chloro-2-(3-pyridyl)-4-quinolyl]-[4-[(E)-styryl]piperazin-4-ium-1-yl]methanone Formula: C27H24ClN4O+ MolecularWeight: 455.95866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C=CC2=CC=CC=C2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CN=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1/C=C/C2=CC=CC=C2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CN=CC=C5

InChI

InChI=1S/C27H23ClN4O/c28-22-8-9-25-23(17-22)24(18-26(30-25)21-7-4-11-29-19-21)27(33)32-15-13-31(14-16-32)12-10-20-5-2-1-3-6-20/h1-12,17-19H,13-16H2/p+1/b12-10+