1-methyl-N,3-bis[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-3-ium-6-carboxamide

Systemtic Name: 1-methyl-N,3-bis[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-3-ium-6-carboxamide Openeye Name: 1-methyl-4-oxo-N,3-bis(p-tolylmethyl)quinazolin-3-ium-6-carboxamide CAS Name: 1-methyl-N,3-bis[(4-methylphenyl)methyl]-4-oxo-6-quinazolin-3-iumcarboxamide IUPAC Name: 1-methyl-N,3-bis[(4-methylphenyl)methyl]-4-oxoquinazolin-3-ium-6-carboxamide Traditional Name: 4-keto-1-methyl-N,3-bis(4-methylbenzyl)quinazolin-3-ium-6-carboxamide Formula: C26H26N3O2+ MolecularWeight: 412.50354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N(C=[N+](C3=O)CC4=CC=C(C=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N(C=[N+](C3=O)CC4=CC=C(C=C4)C)C

InChI

InChI=1S/C26H25N3O2/c1-18-4-8-20(9-5-18)15-27-25(30)22-12-13-24-23(14-22)26(31)29(17-28(24)3)16-21-10-6-19(2)7-11-21/h4-14,17H,15-16H2,1-3H3/p+1