3-[4-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]-8-methyl-quinazolin-4-one

Systemtic Name: 3-[4-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]-8-methyl-quinazolin-4-one Openeye Name: 3-[4-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-4-oxo-butyl]-8-methyl-quinazolin-4-one CAS Name: 3-[4-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-4-oxobutyl]-8-methyl-4-quinazolinone IUPAC Name: 3-[4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-4-oxobutyl]-8-methylquinazolin-4-one Traditional Name: 3-[4-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-4-keto-butyl]-8-methyl-quinazolin-4-one Formula: C22H26BrN4O2S+ MolecularWeight: 490.43644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Br

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Br

InChI

InChI=1S/C22H25BrN4O2S/c1-16-4-2-5-18-21(16)24-15-27(22(18)29)9-3-6-20(28)26-12-10-25(11-13-26)14-17-7-8-19(23)30-17/h2,4-5,7-8,15H,3,6,9-14H2,1H3/p+1