3-isoquinolin-8-yl-1,6-dimethyl-1-phenyl-2H-quinazoline-1,3-diium

Systemtic Name: 3-isoquinolin-8-yl-1,6-dimethyl-1-phenyl-2H-quinazoline-1,3-diium Openeye Name: 3-(8-isoquinolyl)-1,6-dimethyl-1-phenyl-2H-quinazoline-1,3-diium CAS Name: 3-(8-isoquinolinyl)-1,6-dimethyl-1-phenyl-2H-quinazoline-1,3-diium IUPAC Name: 3-isoquinolin-8-yl-1,6-dimethyl-1-phenyl-2H-quinazoline-1,3-diium Traditional Name: 3-(8-isoquinolyl)-1,6-dimethyl-1-phenyl-2H-quinazoline-1,3-diium Formula: C25H23N3+2 MolecularWeight: 365.47022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](C[N+](=C2)C3=CC=CC4=C3C=NC=C4)(C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](C[N+](=C2)C3=CC=CC4=C3C=NC=C4)(C)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3/c1-19-11-12-25-21(15-19)17-27(18-28(25,2)22-8-4-3-5-9-22)24-10-6-7-20-13-14-26-16-23(20)24/h3-17H,18H2,1-2H3/q+2