[2-[(1-cyano-4-methyl-cyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl]-[(3-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(1-cyano-4-methyl-cyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl]-[(3-fluorophenyl)methyl]-methyl-azanium Openeye Name: [2-[(1-cyano-4-methyl-cyclohexyl)-methyl-amino]-2-oxo-ethyl]-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: [2-[(1-cyano-4-methylcyclohexyl)-methylamino]-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylammonium IUPAC Name: [2-[(1-cyano-4-methylcyclohexyl)-methylamino]-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: [2-[(1-cyano-4-methyl-cyclohexyl)-methyl-amino]-2-keto-ethyl]-(3-fluorobenzyl)-methyl-ammonium Formula: C19H27FN3O+ MolecularWeight: 332.435583

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C#N)N(C)C(=O)C[NH+](C)CC2=CC(=CC=C2)F

Isomeric SMILES

CC1CCC(CC1)(C#N)N(C)C(=O)C[NH+](C)CC2=CC(=CC=C2)F

InChI

InChI=1S/C19H26FN3O/c1-15-7-9-19(14-21,10-8-15)23(3)18(24)13-22(2)12-16-5-4-6-17(20)11-16/h4-6,11,15H,7-10,12-13H2,1-3H3/p+1