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

Systemtic Name: 2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-(p-tolylmethyl)-1,4-diazepan-4-ium-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-(4-methylbenzyl)-1,4-diazepan-4-ium-1-yl]nicotinonitrile Formula: C19H23N4+ MolecularWeight: 307.41272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4/c1-16-5-7-17(8-6-16)15-22-10-3-11-23(13-12-22)19-18(14-20)4-2-9-21-19/h2,4-9H,3,10-13,15H2,1H3/p+1