4-(2-azanyl-6-methyl-pyrimidin-3-ium-4-yl)-1-(1,3-benzodioxol-5-ylmethyl)piperazin-2-one

Systemtic Name: 4-(2-azanyl-6-methyl-pyrimidin-3-ium-4-yl)-1-(1,3-benzodioxol-5-ylmethyl)piperazin-2-one Openeye Name: 4-(2-amino-6-methyl-pyrimidin-3-ium-4-yl)-1-(1,3-benzodioxol-5-ylmethyl)piperazin-2-one CAS Name: 4-(2-amino-6-methyl-4-pyrimidin-3-iumyl)-1-(1,3-benzodioxol-5-ylmethyl)-2-piperazinone IUPAC Name: 4-(2-amino-6-methylpyrimidin-3-ium-4-yl)-1-(1,3-benzodioxol-5-ylmethyl)piperazin-2-one Traditional Name: 4-(2-amino-6-methyl-pyrimidin-3-ium-4-yl)-1-piperonyl-piperazin-2-one Formula: C17H20N5O3+ MolecularWeight: 342.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)N)N2CCN(C(=O)C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)N)N2CCN(C(=O)C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H19N5O3/c1-11-6-15(20-17(18)19-11)21-4-5-22(16(23)9-21)8-12-2-3-13-14(7-12)25-10-24-13/h2-3,6-7H,4-5,8-10H2,1H3,(H2,18,19,20)/p+1