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

Systemtic Name: (7S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one Openeye Name: (7S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-(2-furyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one CAS Name: (7S)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-7-(2-furanyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: (7S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one Traditional Name: (7S)-7-(2-furyl)-4-methyl-2-(4-piperonylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one Formula: C25H27N4O4+ MolecularWeight: 447.50628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C(=O)CC(C2)C3=CC=CO3)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=NC(=NC2=C1C(=O)C[C@H](C2)C3=CC=CO3)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H26N4O4/c1-16-24-19(12-18(13-20(24)30)21-3-2-10-31-21)27-25(26-16)29-8-6-28(7-9-29)14-17-4-5-22-23(11-17)33-15-32-22/h2-5,10-11,18H,6-9,12-15H2,1H3/p+1/t18-/m0/s1