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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C#N)NCC[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O/c1-4-18-14-8-6-5-7-12(14)13(11-15)16-9-10-17(2)3/h5-8,13,16H,4,9-10H2,1-3H3/p+1/t13-/m1/s1