(7S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: (7S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one Openeye Name: (7S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-methyl-7-(2-thienyl)-7,8-dihydro-6H-quinazolin-5-one CAS Name: (7S)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: (7S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one Traditional Name: (7S)-4-methyl-2-(4-piperonylpiperazin-4-ium-1-yl)-7-(2-thienyl)-7,8-dihydro-6H-quinazolin-5-one Formula: C25H27N4O3S+ MolecularWeight: 463.57188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C(=O)CC(C2)C3=CC=CS3)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=NC(=NC2=C1C(=O)C[C@H](C2)C3=CC=CS3)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H26N4O3S/c1-16-24-19(12-18(13-20(24)30)23-3-2-10-33-23)27-25(26-16)29-8-6-28(7-9-29)14-17-4-5-21-22(11-17)32-15-31-21/h2-5,10-11,18H,6-9,12-15H2,1H3/p+1/t18-/m0/s1