4-(methoxymethyl)-6-methyl-2-piperazin-4-ium-1-yl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 4-(methoxymethyl)-6-methyl-2-piperazin-4-ium-1-yl-pyridin-1-ium-3-carbonitrile Openeye Name: 4-(methoxymethyl)-6-methyl-2-piperazin-4-ium-1-yl-pyridin-1-ium-3-carbonitrile CAS Name: 4-(methoxymethyl)-6-methyl-2-(1-piperazin-4-iumyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 4-(methoxymethyl)-6-methyl-2-piperazin-4-ium-1-ylpyridin-1-ium-3-carbonitrile Traditional Name: 4-(methoxymethyl)-6-methyl-2-piperazin-4-ium-1-yl-pyridin-1-ium-3-carbonitrile Formula: C13H20N4O+2 MolecularWeight: 248.3241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=C(C(=C1)COC)C#N)N2CC[NH2+]CC2

Isomeric SMILES

CC1=[NH+]C(=C(C(=C1)COC)C#N)N2CC[NH2+]CC2

InChI

InChI=1S/C13H18N4O/c1-10-7-11(9-18-2)12(8-14)13(16-10)17-5-3-15-4-6-17/h7,15H,3-6,9H2,1-2H3/p+2