2-[(1R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-(4-piperonylpiperazine-1,4-diium-1-yl)ethyl]-1H-quinazolin-4-one Formula: C22H26N4O3+2 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H24N4O3/c1-15(21-23-18-5-3-2-4-17(18)22(27)24-21)26-10-8-25(9-11-26)13-16-6-7-19-20(12-16)29-14-28-19/h2-7,12,15H,8-11,13-14H2,1H3,(H,23,24,27)/p+2/t15-/m1/s1