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

Systemtic Name: (7R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one Openeye Name: (7R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-(4-isopropylphenyl)-7,8-dihydro-6H-quinazolin-5-one CAS Name: (7R)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: (7R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one Traditional Name: (7R)-7-p-cumenyl-2-(4-piperonylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one Formula: C29H33N4O3+ MolecularWeight: 485.59732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2CC3=NC(=NC=C3C(=O)C2)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@@H]2CC3=NC(=NC=C3C(=O)C2)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H32N4O3/c1-19(2)21-4-6-22(7-5-21)23-14-25-24(26(34)15-23)16-30-29(31-25)33-11-9-32(10-12-33)17-20-3-8-27-28(13-20)36-18-35-27/h3-8,13,16,19,23H,9-12,14-15,17-18H2,1-2H3/p+1/t23-/m1/s1