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

Systemtic Name: 2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-(3-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=C1)C[NH+]2CCN(CC2)C3=C(C=CC=N3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C3=C(C=CC=N3)C#N

InChI

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