(7-methoxycarbonyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-[(2-methoxyphenyl)methyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: (7-methoxycarbonyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-[(2-methoxyphenyl)methyl]-(thiophen-2-ylmethyl)azanium Openeye Name: (7-methoxycarbonyl-4-oxo-1H-quinazolin-2-yl)methyl-[(2-methoxyphenyl)methyl]-(2-thienylmethyl)ammonium CAS Name: (7-methoxycarbonyl-4-oxo-1H-quinazolin-2-yl)methyl-[(2-methoxyphenyl)methyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: (7-methoxycarbonyl-4-oxo-1H-quinazolin-2-yl)methyl-[(2-methoxyphenyl)methyl]-(thiophen-2-ylmethyl)azanium Traditional Name: (7-carbomethoxy-4-keto-1H-quinazolin-2-yl)methyl-o-anisyl-(2-thenyl)ammonium Formula: C24H24N3O4S+ MolecularWeight: 450.53006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+](CC2=CC=CS2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1C[NH+](CC2=CC=CS2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C24H23N3O4S/c1-30-21-8-4-3-6-17(21)13-27(14-18-7-5-11-32-18)15-22-25-20-12-16(24(29)31-2)9-10-19(20)23(28)26-22/h3-12H,13-15H2,1-2H3,(H,25,26,28)/p+1