2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-4,6-dimethyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4,6-dimethylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C14H22N4O+2 MolecularWeight: 262.35068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)N2CC[NH+](CC2)CCO)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)N2CC[NH+](CC2)CCO)C

InChI

InChI=1S/C14H20N4O/c1-11-9-12(2)16-14(13(11)10-15)18-5-3-17(4-6-18)7-8-19/h9,19H,3-8H2,1-2H3/p+2