2-(chloromethyl)-4-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-3-oxidanidyl-quinazolin-3-ium

Systemtic Name: 2-(chloromethyl)-4-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-3-oxidanidyl-quinazolin-3-ium Openeye Name: 2-(chloromethyl)-4-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-3-oxido-quinazolin-3-ium CAS Name: 2-(chloromethyl)-4-(1,5-dimethyl-1-cyclohexa-2,4-dienyl)-3-oxidoquinazolin-3-ium IUPAC Name: 2-(chloromethyl)-4-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-3-oxidoquinazolin-3-ium Traditional Name: 2-(chloromethyl)-4-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-3-oxido-quinazolin-3-ium Formula: C17H17ClN2O MolecularWeight: 300.78268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(C1)(C)C2=[N+](C(=NC3=CC=CC=C32)CCl)[O-]

Isomeric SMILES

CC1=CC=CC(C1)(C)C2=[N+](C(=NC3=CC=CC=C32)CCl)[O-]

InChI

InChI=1S/C17H17ClN2O/c1-12-6-5-9-17(2,10-12)16-13-7-3-4-8-14(13)19-15(11-18)20(16)21/h3-9H,10-11H2,1-2H3