2-[[(S)-cyano-(3-ethoxyphenyl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(S)-cyano-(3-ethoxyphenyl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(S)-cyano-(3-ethoxyphenyl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(S)-cyano-(3-ethoxyphenyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(S)-cyano-(3-ethoxyphenyl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(S)-cyano(m-phenetyl)methyl]amino]ethyl-dimethyl-ammonium Formula: C14H22N3O+ MolecularWeight: 248.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C#N)NCC[NH+](C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)[C@@H](C#N)NCC[NH+](C)C

InChI

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