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

Systemtic Name: 4,6-dimethyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-4,6-dimethyl-pyridin-1-ium-3-carbonitrile CAS Name: 4,6-dimethyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-4,6-dimethylpyridin-1-ium-3-carbonitrile Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C19H24N4+2 MolecularWeight: 308.42066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)N2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)N2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C19H22N4/c1-15-12-16(2)21-19(18(15)13-20)23-10-8-22(9-11-23)14-17-6-4-3-5-7-17/h3-7,12H,8-11,14H2,1-2H3/p+2