2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]nicotinonitrile Formula: C18H21N4+ MolecularWeight: 293.38614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=C(C=CC=N3)C#N

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=C(C=CC=N3)C#N

InChI

InChI=1S/C18H20N4/c1-15-5-2-3-6-17(15)14-21-9-11-22(12-10-21)18-16(13-19)7-4-8-20-18/h2-8H,9-12,14H2,1H3/p+1