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

Systemtic Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanenitrile Openeye Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)acetonitrile CAS Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)acetonitrile IUPAC Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)acetonitrile Traditional Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)acetonitrile Formula: C8H16N3+ MolecularWeight: 154.23274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H15N3/c1-10-4-2-5-11(6-3-9)8-7-10/h2,4-8H2,1H3/p+1