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

Systemtic Name: 6-azanyl-5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-methyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-methyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1-methylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-methylpyrimidine-2,4-dione Traditional Name: 6-amino-1-methyl-5-(4-piperonylpiperazin-4-ium-1-yl)pyrimidine-2,4-quinone Formula: C17H22N5O4+ MolecularWeight: 360.38768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CN1C(=C(C(=O)NC1=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C17H21N5O4/c1-20-15(18)14(16(23)19-17(20)24)22-6-4-21(5-7-22)9-11-2-3-12-13(8-11)26-10-25-12/h2-3,8H,4-7,9-10,18H2,1H3,(H,19,23,24)/p+1