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

Systemtic Name: [2-[[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]-cyclohexyl-methyl-azanium Openeye Name: [2-[[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl]-cyclohexyl-methyl-ammonium CAS Name: [2-[[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl]-cyclohexyl-methylammonium IUPAC Name: [2-[[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-cyclohexyl-methylazanium Traditional Name: [2-[[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl]-cyclohexyl-methyl-ammonium Formula: C22H28FN4O+ MolecularWeight: 383.482323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+](C)C2CCCCC2)C3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+](C)C2CCCCC2)C3=CC(=CC=C3)F)C

InChI

InChI=1S/C22H27FN4O/c1-15-16(2)27(19-11-7-8-17(23)12-19)22(20(15)13-24)25-21(28)14-26(3)18-9-5-4-6-10-18/h7-8,11-12,18H,4-6,9-10,14H2,1-3H3,(H,25,28)/p+1