[4-[[4-[2-(diethylazaniumyl)ethylcarbamoyl]phenyl]amino]quinazolin-2-yl]methyl-dimethyl-azanium

Systemtic Name: [4-[[4-[2-(diethylazaniumyl)ethylcarbamoyl]phenyl]amino]quinazolin-2-yl]methyl-dimethyl-azanium Openeye Name: [4-[4-[2-(diethylammonio)ethylcarbamoyl]anilino]quinazolin-2-yl]methyl-dimethyl-ammonium CAS Name: [4-[4-[[2-(diethylammonio)ethylamino]-oxomethyl]anilino]-2-quinazolinyl]methyl-dimethylammonium IUPAC Name: [4-[4-[2-(diethylazaniumyl)ethylcarbamoyl]anilino]quinazolin-2-yl]methyl-dimethylazanium Traditional Name: [4-[4-[2-(diethylammonio)ethylcarbamoyl]anilino]quinazolin-2-yl]methyl-dimethyl-ammonium Formula: C24H34N6O+2 MolecularWeight: 422.56636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C[NH+](C)C

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C[NH+](C)C

InChI

InChI=1S/C24H32N6O/c1-5-30(6-2)16-15-25-24(31)18-11-13-19(14-12-18)26-23-20-9-7-8-10-21(20)27-22(28-23)17-29(3)4/h7-14H,5-6,15-17H2,1-4H3,(H,25,31)(H,26,27,28)/p+2