[4-[2-cyanoethyl(phenyl)amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[2-cyanoethyl(phenyl)amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[N-(2-cyanoethyl)anilino]-4-oxo-butyl]ammonium CAS Name: [4-[N-(2-cyanoethyl)anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[N-(2-cyanoethyl)anilino]-4-oxobutyl]azanium Traditional Name: [4-[N-(2-cyanoethyl)anilino]-4-keto-butyl]ammonium Formula: C13H18N3O+ MolecularWeight: 232.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)CCC[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)CCC[NH3+]

InChI

InChI=1S/C13H17N3O/c14-9-4-8-13(17)16(11-5-10-15)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-9,11,14H2/p+1