1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-[(1R)-1-pyrrolidin-1-ium-1-ylethyl]piperidin-1-ium

Systemtic Name: 1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-[(1R)-1-pyrrolidin-1-ium-1-ylethyl]piperidin-1-ium Openeye Name: 1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-[(1R)-1-pyrrolidin-1-ium-1-ylethyl]piperidin-1-ium CAS Name: 1-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-4-[(1R)-1-(1-pyrrolidin-1-iumyl)ethyl]piperidin-1-ium IUPAC Name: 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-4-[(1R)-1-pyrrolidin-1-ium-1-ylethyl]piperidin-1-ium Traditional Name: 1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-[(1R)-1-pyrrolidin-1-ium-1-ylethyl]piperidin-1-ium Formula: C22H33FN4+2 MolecularWeight: 372.522623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC[NH+](CC1)CC2=CN(N=C2C3=CC=CC=C3F)C)[NH+]4CCCC4

Isomeric SMILES

C[C@H](C1CC[NH+](CC1)CC2=CN(N=C2C3=CC=CC=C3F)C)[NH+]4CCCC4

InChI

InChI=1S/C22H31FN4/c1-17(27-11-5-6-12-27)18-9-13-26(14-10-18)16-19-15-25(2)24-22(19)20-7-3-4-8-21(20)23/h3-4,7-8,15,17-18H,5-6,9-14,16H2,1-2H3/p+2/t17-/m1/s1