1-methyl-4-[3-[1-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrazole

Systemtic Name: 1-methyl-4-[3-[1-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrazole Openeye Name: 1-methyl-4-[3-[1-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrazole CAS Name: 1-methyl-4-[3-[1-[2-[(2S)-1-methyl-2-pyrrolidin-1-iumyl]ethyl]-3-pyrazolyl]phenyl]pyrazole IUPAC Name: 1-methyl-4-[3-[1-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrazole Traditional Name: 1-methyl-4-[3-[1-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrazole Formula: C20H26N5+ MolecularWeight: 336.45394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1CCN2C=CC(=N2)C3=CC=CC(=C3)C4=CN(N=C4)C

Isomeric SMILES

C[NH+]1CCC[C@H]1CCN2C=CC(=N2)C3=CC=CC(=C3)C4=CN(N=C4)C

InChI

InChI=1S/C20H25N5/c1-23-10-4-7-19(23)8-11-25-12-9-20(22-25)17-6-3-5-16(13-17)18-14-21-24(2)15-18/h3,5-6,9,12-15,19H,4,7-8,10-11H2,1-2H3/p+1/t19-/m0/s1