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

Systemtic Name: 2-butyl-6-methyl-3-(2H-1,2,3,4-tetrazol-5-yl)-3-[(4-thiophen-3-ylphenyl)methyl]quinazolin-3-ium-4-one Openeye Name: 2-butyl-6-methyl-3-(2H-tetrazol-5-yl)-3-[[4-(3-thienyl)phenyl]methyl]quinazolin-3-ium-4-one CAS Name: 2-butyl-6-methyl-3-(2H-tetrazol-5-yl)-3-[[4-(3-thiophenyl)phenyl]methyl]-4-quinazolin-3-iumone IUPAC Name: 2-butyl-6-methyl-3-(2H-tetrazol-5-yl)-3-[(4-thiophen-3-ylphenyl)methyl]quinazolin-3-ium-4-one Traditional Name: 2-butyl-6-methyl-3-(2H-tetrazol-5-yl)-3-[4-(3-thienyl)benzyl]quinazolin-3-ium-4-one Formula: C25H25N6OS+ MolecularWeight: 457.5706

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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=CSC=C4)C5=NNN=N5

Isomeric SMILES

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

InChI

InChI=1S/C25H25N6OS/c1-3-4-5-23-26-22-11-6-17(2)14-21(22)24(32)31(23,25-27-29-30-28-25)15-18-7-9-19(10-8-18)20-12-13-33-16-20/h6-14,16H,3-5,15H2,1-2H3,(H,27,28,29,30)/q+1