cyclohexyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-(2-methoxy-2-oxidanylidene-ethyl)azanium

Systemtic Name: cyclohexyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-(2-methoxy-2-oxidanylidene-ethyl)azanium Openeye Name: cyclohexyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-(2-methoxy-2-oxo-ethyl)ammonium CAS Name: cyclohexyl-[[1-[(2-fluorophenyl)methyl]-2-pyrrolyl]methyl]-(2-methoxy-2-oxoethyl)ammonium IUPAC Name: cyclohexyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-(2-methoxy-2-oxoethyl)azanium Traditional Name: cyclohexyl-[[1-(2-fluorobenzyl)pyrrol-2-yl]methyl]-(2-keto-2-methoxy-ethyl)ammonium Formula: C21H28FN2O2+ MolecularWeight: 359.457623

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[NH+](CC1=CC=CN1CC2=CC=CC=C2F)C3CCCCC3

Isomeric SMILES

COC(=O)C[NH+](CC1=CC=CN1CC2=CC=CC=C2F)C3CCCCC3

InChI

InChI=1S/C21H27FN2O2/c1-26-21(25)16-24(18-9-3-2-4-10-18)15-19-11-7-13-23(19)14-17-8-5-6-12-20(17)22/h5-8,11-13,18H,2-4,9-10,14-16H2,1H3/p+1