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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one Traditional Name: 4-methyl-2-(4-piperonylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C(=O)CCC2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC(=NC2=C1C(=O)CCC2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H24N4O3/c1-14-20-16(3-2-4-17(20)26)23-21(22-14)25-9-7-24(8-10-25)12-15-5-6-18-19(11-15)28-13-27-18/h5-6,11H,2-4,7-10,12-13H2,1H3/p+1