methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-[[(3R)-1-propan-2-ylpyrrolidin-1-ium-3-yl]methyl]azanium

Systemtic Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-[[(3R)-1-propan-2-ylpyrrolidin-1-ium-3-yl]methyl]azanium Openeye Name: [(3R)-1-isopropylpyrrolidin-1-ium-3-yl]methyl-methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]ammonium CAS Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-[[(3R)-1-propan-2-yl-3-pyrrolidin-1-iumyl]methyl]ammonium IUPAC Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-[[(3R)-1-propan-2-ylpyrrolidin-1-ium-3-yl]methyl]azanium Traditional Name: [(3R)-1-isopropylpyrrolidin-1-ium-3-yl]methyl-methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]ammonium Formula: C26H36N4O+2 MolecularWeight: 420.59024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(C1)C[NH+](C)CC2=CN(N=C2C3=CC=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CC(C)[NH+]1CC[C@@H](C1)C[NH+](C)CC2=CN(N=C2C3=CC=C(C=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C26H34N4O/c1-20(2)30-15-14-21(17-30)16-28(3)18-23-19-29(4)27-26(23)22-10-12-25(13-11-22)31-24-8-6-5-7-9-24/h5-13,19-21H,14-18H2,1-4H3/p+2/t21-/m1/s1