1-[[(3S)-1-ethylpyrrolidin-1-ium-3-yl]methyl]-3-[3-(1-methylimidazol-2-yl)phenyl]pyrazole

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(C1)CN2C=CC(=N2)C3=CC(=CC=C3)C4=NC=CN4C

Isomeric SMILES

CC[NH+]1CC[C@@H](C1)CN2C=CC(=N2)C3=CC(=CC=C3)C4=NC=CN4C

InChI

InChI=1S/C20H25N5/c1-3-24-10-7-16(14-24)15-25-11-8-19(22-25)17-5-4-6-18(13-17)20-21-9-12-23(20)2/h4-6,8-9,11-13,16H,3,7,10,14-15H2,1-2H3/p+1/t16-/m0/s1