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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-methyl-5-(naphthalen-1-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-methyl-5-(1-naphthylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-6-methyl-5-(1-naphthalenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-methyl-5-(naphthalen-1-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 6-methyl-5-(1-naphthylmethyl)-2-(4-piperonylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Formula: C28H29N4O3+ MolecularWeight: 469.55486

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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=CC6=CC=CC=C65

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C28H28N4O3/c1-19-24(16-22-7-4-6-21-5-2-3-8-23(21)22)27(33)30-28(29-19)32-13-11-31(12-14-32)17-20-9-10-25-26(15-20)35-18-34-25/h2-10,15H,11-14,16-18H2,1H3,(H,29,30,33)/p+1