[(1S)-2-(2-cyanoethylazaniumyl)-1-(4-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-(2-cyanoethylazaniumyl)-1-(4-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(2-cyanoethylammonio)-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-(2-cyanoethylammonio)-1-(4-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-(2-cyanoethylazaniumyl)-1-(4-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-(2-cyanoethylammonio)-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C14H23N3O+2 MolecularWeight: 249.35192

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(C[NH2+]CCC#N)C1=CC=C(C=C1)OC

Isomeric SMILES

C[NH+](C)[C@H](C[NH2+]CCC#N)C1=CC=C(C=C1)OC

InChI

InChI=1S/C14H21N3O/c1-17(2)14(11-16-10-4-9-15)12-5-7-13(18-3)8-6-12/h5-8,14,16H,4,10-11H2,1-3H3/p+2/t14-/m1/s1