1,2-dimethyl-3-pyrrol-1-yl-quinazolin-1-ium-4-one perchlorate

Systemtic Name: 1,2-dimethyl-3-pyrrol-1-yl-quinazolin-1-ium-4-one perchlorate Openeye Name: 1,2-dimethyl-3-pyrrol-1-yl-quinazolin-1-ium-4-one perchlorate CAS Name: 1,2-dimethyl-3-(1-pyrrolyl)-4-quinazolin-1-iumone perchlorate IUPAC Name: 1,2-dimethyl-3-pyrrol-1-ylquinazolin-1-ium-4-one perchlorate Traditional Name: 1,2-dimethyl-3-pyrrol-1-yl-quinazolin-1-ium-4-one perchlorate Formula: C14H14ClN3O5 MolecularWeight: 339.73106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C(=O)N1N3C=CC=C3)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C(=O)N1N3C=CC=C3)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H14N3O.ClHO4/c1-11-15(2)13-8-4-3-7-12(13)14(18)17(11)16-9-5-6-10-16;2-1(3,4)5/h3-10H,1-2H3;(H,2,3,4,5)/q+1;/p-1