5-bromanyl-4,6-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 5-bromanyl-4,6-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-carbonitrile Openeye Name: 5-bromo-4,6-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-carbonitrile CAS Name: 5-bromo-4,6-dimethyl-2-(4-methyl-1-piperazin-4-iumyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 5-bromo-4,6-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-carbonitrile Traditional Name: 5-bromo-4,6-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-carbonitrile Formula: C13H19BrN4+2 MolecularWeight: 311.22076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]C(=C1Br)C)N2CC[NH+](CC2)C)C#N

Isomeric SMILES

CC1=C(C(=[NH+]C(=C1Br)C)N2CC[NH+](CC2)C)C#N

InChI

InChI=1S/C13H17BrN4/c1-9-11(8-15)13(16-10(2)12(9)14)18-6-4-17(3)5-7-18/h4-7H2,1-3H3/p+2