(7S)-4-methyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: (7S)-4-methyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one Openeye Name: (7S)-2-(4-benzylpiperazin-4-ium-1-yl)-4-methyl-7-(2-thienyl)-7,8-dihydro-6H-quinazolin-5-one CAS Name: (7S)-4-methyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: (7S)-2-(4-benzylpiperazin-4-ium-1-yl)-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one Traditional Name: (7S)-2-(4-benzylpiperazin-4-ium-1-yl)-4-methyl-7-(2-thienyl)-7,8-dihydro-6H-quinazolin-5-one Formula: C24H27N4OS+ MolecularWeight: 419.56238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C(=O)CC(C2)C3=CC=CS3)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NC(=NC2=C1C(=O)C[C@H](C2)C3=CC=CS3)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C24H26N4OS/c1-17-23-20(14-19(15-21(23)29)22-8-5-13-30-22)26-24(25-17)28-11-9-27(10-12-28)16-18-6-3-2-4-7-18/h2-8,13,19H,9-12,14-16H2,1H3/p+1/t19-/m0/s1