(4-oxidanylidene-1H-quinazolin-2-yl)methyl-prop-2-enyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl-prop-2-enyl-(thiophen-2-ylmethyl)azanium Openeye Name: allyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-(2-thienylmethyl)ammonium CAS Name: (4-oxo-1H-quinazolin-2-yl)methyl-prop-2-enyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl-prop-2-enyl-(thiophen-2-ylmethyl)azanium Traditional Name: allyl-[(4-keto-1H-quinazolin-2-yl)methyl]-(2-thenyl)ammonium Formula: C17H18N3OS+ MolecularWeight: 312.40932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=CS1)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C=CC[NH+](CC1=CC=CS1)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C17H17N3OS/c1-2-9-20(11-13-6-5-10-22-13)12-16-18-15-8-4-3-7-14(15)17(21)19-16/h2-8,10H,1,9,11-12H2,(H,18,19,21)/p+1