2-cyanoethyl-[(1S)-1-(4-phenylmethoxyphenyl)ethyl]azanium

Systemtic Name: 2-cyanoethyl-[(1S)-1-(4-phenylmethoxyphenyl)ethyl]azanium Openeye Name: [(1S)-1-(4-benzyloxyphenyl)ethyl]-(2-cyanoethyl)ammonium CAS Name: 2-cyanoethyl-[(1S)-1-(4-phenylmethoxyphenyl)ethyl]ammonium IUPAC Name: 2-cyanoethyl-[(1S)-1-(4-phenylmethoxyphenyl)ethyl]azanium Traditional Name: [(1S)-1-(4-benzoxyphenyl)ethyl]-(2-cyanoethyl)ammonium Formula: C18H21N2O+ MolecularWeight: 281.37214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OCC2=CC=CC=C2)[NH2+]CCC#N

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)OCC2=CC=CC=C2)[NH2+]CCC#N

InChI

InChI=1S/C18H20N2O/c1-15(20-13-5-12-19)17-8-10-18(11-9-17)21-14-16-6-3-2-4-7-16/h2-4,6-11,15,20H,5,13-14H2,1H3/p+1/t15-/m0/s1