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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-[(4-chlorophenyl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-[(4-chlorophenyl)sulfanylmethyl]-1H-pyrimidin-4-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-6-[[(4-chlorophenyl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-[(4-chlorophenyl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 6-[[(4-chlorophenyl)thio]methyl]-2-(4-piperonylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Formula: C23H24ClN4O3S+ MolecularWeight: 471.97966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC(=O)C=C(N4)CSC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC(=O)C=C(N4)CSC5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H23ClN4O3S/c24-17-2-4-19(5-3-17)32-14-18-12-22(29)26-23(25-18)28-9-7-27(8-10-28)13-16-1-6-20-21(11-16)31-15-30-20/h1-6,11-12H,7-10,13-15H2,(H,25,26,29)/p+1