2-butyl-6-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-3-(2H-1,2,3,4-tetrazol-5-yl)quinazolin-3-ium-4-one

Systemtic Name: 2-butyl-6-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-3-(2H-1,2,3,4-tetrazol-5-yl)quinazolin-3-ium-4-one Openeye Name: 2-butyl-6-methyl-3-[[4-(2-pyridyl)phenyl]methyl]-3-(2H-tetrazol-5-yl)quinazolin-3-ium-4-one CAS Name: 2-butyl-6-methyl-3-[[4-(2-pyridinyl)phenyl]methyl]-3-(2H-tetrazol-5-yl)-4-quinazolin-3-iumone IUPAC Name: 2-butyl-6-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-3-(2H-tetrazol-5-yl)quinazolin-3-ium-4-one Traditional Name: 2-butyl-6-methyl-3-[4-(2-pyridyl)benzyl]-3-(2H-tetrazol-5-yl)quinazolin-3-ium-4-one Formula: C26H26N7O+ MolecularWeight: 452.53094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C(C=C2)C)C(=O)[N+]1(CC3=CC=C(C=C3)C4=CC=CC=N4)C5=NNN=N5

Isomeric SMILES

CCCCC1=NC2=C(C=C(C=C2)C)C(=O)[N+]1(CC3=CC=C(C=C3)C4=CC=CC=N4)C5=NNN=N5

InChI

InChI=1S/C26H26N7O/c1-3-4-8-24-28-23-14-9-18(2)16-21(23)25(34)33(24,26-29-31-32-30-26)17-19-10-12-20(13-11-19)22-7-5-6-15-27-22/h5-7,9-16H,3-4,8,17H2,1-2H3,(H,29,30,31,32)/q+1