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

Systemtic Name: 3-methyl-2-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]propyl]quinazolin-4-one Openeye Name: 3-methyl-2-[3-oxo-3-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]propyl]quinazolin-4-one CAS Name: 3-methyl-2-[3-oxo-3-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]propyl]-4-quinazolinone IUPAC Name: 3-methyl-2-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]propyl]quinazolin-4-one Traditional Name: 2-[3-keto-3-[4-(2-thenyl)piperazin-4-ium-1-yl]propyl]-3-methyl-quinazolin-4-one Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C21H24N4O2S/c1-23-19(22-18-7-3-2-6-17(18)21(23)27)8-9-20(26)25-12-10-24(11-13-25)15-16-5-4-14-28-16/h2-7,14H,8-13,15H2,1H3/p+1