6-azanyl-5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-amino-1,3-dimethyl-5-(4-piperonylpiperazin-4-ium-1-yl)pyrimidine-2,4-quinone Formula: C18H24N5O4+ MolecularWeight: 374.41426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C18H23N5O4/c1-20-16(19)15(17(24)21(2)18(20)25)23-7-5-22(6-8-23)10-12-3-4-13-14(9-12)27-11-26-13/h3-4,9H,5-8,10-11,19H2,1-2H3/p+1