2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-[(4-bromophenyl)methyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-[(4-bromophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-[(4-bromophenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-5-[(4-bromophenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-[(4-bromophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-(4-bromobenzyl)-6-methyl-2-(4-piperonylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Formula: C24H26BrN4O3+ MolecularWeight: 498.39224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)Br

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)Br

InChI

InChI=1S/C24H25BrN4O3/c1-16-20(12-17-2-5-19(25)6-3-17)23(30)27-24(26-16)29-10-8-28(9-11-29)14-18-4-7-21-22(13-18)32-15-31-21/h2-7,13H,8-12,14-15H2,1H3,(H,26,27,30)/p+1