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

Systemtic Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanenitrile Openeye Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetonitrile CAS Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetonitrile IUPAC Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetonitrile Traditional Name: 2-[4-keto-6-methyl-2-(4-piperonylpiperazin-4-ium-1-yl)-1H-pyrimidin-5-yl]acetonitrile Formula: C19H22N5O3+ MolecularWeight: 368.40968

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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)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O3/c1-13-15(4-5-20)18(25)22-19(21-13)24-8-6-23(7-9-24)11-14-2-3-16-17(10-14)27-12-26-16/h2-3,10H,4,6-9,11-12H2,1H3,(H,21,22,25)/p+1