2-methyl-3-[4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]quinazolin-4-one

Systemtic Name: 2-methyl-3-[4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]quinazolin-4-one Openeye Name: 2-methyl-3-[4-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]phenyl]quinazolin-4-one CAS Name: 2-methyl-3-[4-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]-4-quinazolinone IUPAC Name: 2-methyl-3-[4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]quinazolin-4-one Traditional Name: 2-methyl-3-[4-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]phenyl]quinazolin-4-one Formula: C25H25N4O2S+ MolecularWeight: 445.5566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=CSC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=CSC=C5

InChI

InChI=1S/C25H24N4O2S/c1-18-26-23-5-3-2-4-22(23)25(31)29(18)21-8-6-20(7-9-21)24(30)28-13-11-27(12-14-28)16-19-10-15-32-17-19/h2-10,15,17H,11-14,16H2,1H3/p+1