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

Systemtic Name: (7R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one Openeye Name: (7R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one CAS Name: (7R)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: (7R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one Traditional Name: (7R)-7-phenyl-2-(4-piperonylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one Formula: C26H27N4O3+ MolecularWeight: 443.51758

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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=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O3/c31-23-14-20(19-4-2-1-3-5-19)13-22-21(23)15-27-26(28-22)30-10-8-29(9-11-30)16-18-6-7-24-25(12-18)33-17-32-24/h1-7,12,15,20H,8-11,13-14,16-17H2/p+1/t20-/m1/s1