[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(2-cyanoethyl)-methyl-azanium

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(2-cyanoethyl)-methyl-azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-(2-cyanoethyl)-methyl-ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-(2-cyanoethyl)-methylammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-(2-cyanoethyl)-methylazanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-(2-cyanoethyl)-methyl-ammonium Formula: C12H22N3O+ MolecularWeight: 224.32258

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC#N)CC(=O)N1CCCCCC1

Isomeric SMILES

C[NH+](CCC#N)CC(=O)N1CCCCCC1

InChI

InChI=1S/C12H21N3O/c1-14(8-6-7-13)11-12(16)15-9-4-2-3-5-10-15/h2-6,8-11H2,1H3/p+1