3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxo-propanenitrile CAS Name: 3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxopropanenitrile IUPAC Name: 3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxopropanenitrile Traditional Name: 3-keto-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propionitrile Formula: C9H16N3O+ MolecularWeight: 182.24284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15N3O/c1-11-5-2-6-12(8-7-11)9(13)3-4-10/h2-3,5-8H2,1H3/p+1