3-(3-isocyanophenyl)-1,8-dimethyl-2H-quinazolin-1-ium

Systemtic Name: 3-(3-isocyanophenyl)-1,8-dimethyl-2H-quinazolin-1-ium Openeye Name: 3-(3-isocyanophenyl)-1,8-dimethyl-2H-quinazolin-1-ium CAS Name: 3-(3-isocyanophenyl)-1,8-dimethyl-2H-quinazolin-1-ium IUPAC Name: 3-(3-isocyanophenyl)-1,8-dimethyl-2H-quinazolin-1-ium Traditional Name: 3-(3-isocyanophenyl)-1,8-dimethyl-2H-quinazolin-1-ium Formula: C17H16N3+ MolecularWeight: 262.32904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CN(C[N+](=C12)C)C3=CC=CC(=C3)[N+]#[C-]

Isomeric SMILES

CC1=CC=CC2=CN(C[N+](=C12)C)C3=CC=CC(=C3)[N+]#[C-]

InChI

InChI=1S/C17H16N3/c1-13-6-4-7-14-11-20(12-19(3)17(13)14)16-9-5-8-15(10-16)18-2/h4-11H,12H2,1,3H3/q+1