(5-bromanylthiophen-2-yl)methyl-[(3-methyl-4-oxidanylidene-quinazolin-2-yl)methyl]-prop-2-enyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[(3-methyl-4-oxidanylidene-quinazolin-2-yl)methyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-bromo-2-thienyl)methyl]-[(3-methyl-4-oxo-quinazolin-2-yl)methyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[(3-methyl-4-oxo-2-quinazolinyl)methyl]-prop-2-enylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-prop-2-enylazanium Traditional Name: allyl-[(5-bromo-2-thienyl)methyl]-[(4-keto-3-methyl-quinazolin-2-yl)methyl]ammonium Formula: C18H19BrN3OS+ MolecularWeight: 405.33196

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)C[NH+](CC=C)CC3=CC=C(S3)Br

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)C[NH+](CC=C)CC3=CC=C(S3)Br

InChI

InChI=1S/C18H18BrN3OS/c1-3-10-22(11-13-8-9-16(19)24-13)12-17-20-15-7-5-4-6-14(15)18(23)21(17)2/h3-9H,1,10-12H2,2H3/p+1