[7-[2-cyanoethyl(phenyl)amino]-7-oxidanylidene-heptyl]azanium

Systemtic Name: [7-[2-cyanoethyl(phenyl)amino]-7-oxidanylidene-heptyl]azanium Openeye Name: [7-[N-(2-cyanoethyl)anilino]-7-oxo-heptyl]ammonium CAS Name: [7-[N-(2-cyanoethyl)anilino]-7-oxoheptyl]ammonium IUPAC Name: [7-[N-(2-cyanoethyl)anilino]-7-oxoheptyl]azanium Traditional Name: [7-[N-(2-cyanoethyl)anilino]-7-keto-heptyl]ammonium Formula: C16H24N3O+ MolecularWeight: 274.38126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O/c17-12-7-2-1-6-11-16(20)19(14-8-13-18)15-9-4-3-5-10-15/h3-5,9-10H,1-2,6-8,11-12,14,17H2/p+1