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

Systemtic Name: (7R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one Openeye Name: (7R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-(2-thienyl)-7,8-dihydro-6H-quinazolin-5-one CAS Name: (7R)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: (7R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one Traditional Name: (7R)-2-(4-piperonylpiperazin-4-ium-1-yl)-7-(2-thienyl)-7,8-dihydro-6H-quinazolin-5-one Formula: C24H25N4O3S+ MolecularWeight: 449.5453

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC=C5C(=N4)CC(CC5=O)C6=CC=CS6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC=C5C(=N4)C[C@H](CC5=O)C6=CC=CS6

InChI

InChI=1S/C24H24N4O3S/c29-20-12-17(23-2-1-9-32-23)11-19-18(20)13-25-24(26-19)28-7-5-27(6-8-28)14-16-3-4-21-22(10-16)31-15-30-21/h1-4,9-10,13,17H,5-8,11-12,14-15H2/p+1/t17-/m1/s1