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

Systemtic Name: 2-(1,4-diazepan-4-ium-1-yl)ethanenitrile Openeye Name: 2-(1,4-diazepan-4-ium-1-yl)acetonitrile CAS Name: 2-(1,4-diazepan-4-ium-1-yl)acetonitrile IUPAC Name: 2-(1,4-diazepan-4-ium-1-yl)acetonitrile Traditional Name: 2-(1,4-diazepan-4-ium-1-yl)acetonitrile Formula: C7H14N3+ MolecularWeight: 140.20616

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)CC#N

Isomeric SMILES

C1C[NH2+]CCN(C1)CC#N

InChI

InChI=1S/C7H13N3/c8-2-6-10-5-1-3-9-4-7-10/h9H,1,3-7H2/p+1