2-[(E)-2-(2-piperidin-1-ylquinolin-3-yl)ethenyl]-1H-quinazolin-3-ium-4-one

Systemtic Name: 2-[(E)-2-(2-piperidin-1-ylquinolin-3-yl)ethenyl]-1H-quinazolin-3-ium-4-one Openeye Name: 2-[(E)-2-[2-(1-piperidyl)-3-quinolyl]vinyl]-1H-quinazolin-3-ium-4-one CAS Name: 2-[(E)-2-[2-(1-piperidinyl)-3-quinolinyl]ethenyl]-1H-quinazolin-3-ium-4-one IUPAC Name: 2-[(E)-2-(2-piperidin-1-ylquinolin-3-yl)ethenyl]-1H-quinazolin-3-ium-4-one Traditional Name: 2-[(E)-2-(2-piperidino-3-quinolyl)vinyl]-1H-quinazolin-3-ium-4-one Formula: C24H23N4O+ MolecularWeight: 383.46562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=CC=CC=C3C=C2C=CC4=[NH+]C(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1CCN(CC1)C2=NC3=CC=CC=C3C=C2/C=C/C4=[NH+]C(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C24H22N4O/c29-24-19-9-3-5-11-21(19)25-22(27-24)13-12-18-16-17-8-2-4-10-20(17)26-23(18)28-14-6-1-7-15-28/h2-5,8-13,16H,1,6-7,14-15H2,(H,25,27,29)/p+1/b13-12+