2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzenecarbonitrile

Systemtic Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzenecarbonitrile Openeye Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzonitrile CAS Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzonitrile IUPAC Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzonitrile Traditional Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzonitrile Formula: C13H18N3+ MolecularWeight: 216.30212

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=CC=CC=C2C#N

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=CC=CC=C2C#N

InChI

InChI=1S/C13H17N3/c1-15-7-4-8-16(10-9-15)13-6-3-2-5-12(13)11-14/h2-3,5-6H,4,7-10H2,1H3/p+1