(5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium

Systemtic Name: (5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium Openeye Name: (5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl-[(1S)-1-(4-fluorophenyl)ethyl]ammonium CAS Name: (5-cyano-1,2-dimethyl-3-pyrrolyl)methyl-[(1S)-1-(4-fluorophenyl)ethyl]ammonium IUPAC Name: (5-cyano-1,2-dimethylpyrrol-3-yl)methyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium Traditional Name: (5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl-[(1S)-1-(4-fluorophenyl)ethyl]ammonium Formula: C16H19FN3+ MolecularWeight: 272.340563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C[NH2+]C(C)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C=C(N1C)C#N)C[NH2+][C@@H](C)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H18FN3/c1-11(13-4-6-15(17)7-5-13)19-10-14-8-16(9-18)20(3)12(14)2/h4-8,11,19H,10H2,1-3H3/p+1/t11-/m0/s1