6-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[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=NC=C(C=C3)C#N

Isomeric SMILES

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

InChI

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