1-(2,5-dimethylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-3-phenyl-pyrazole

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-3-phenyl-pyrazole Openeye Name: 1-(2,5-dimethylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-3-phenyl-pyrazole CAS Name: 1-(2,5-dimethylphenyl)-4-[[(3S)-3-(methoxymethyl)-1-pyrrolidin-1-iumyl]methyl]-3-phenylpyrazole IUPAC Name: 1-(2,5-dimethylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-3-phenylpyrazole Traditional Name: 1-(2,5-dimethylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-3-phenyl-pyrazole Formula: C24H30N3O+ MolecularWeight: 376.5145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH+]4CCC(C4)COC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH+]4CC[C@@H](C4)COC

InChI

InChI=1S/C24H29N3O/c1-18-9-10-19(2)23(13-18)27-16-22(15-26-12-11-20(14-26)17-28-3)24(25-27)21-7-5-4-6-8-21/h4-10,13,16,20H,11-12,14-15,17H2,1-3H3/p+1/t20-/m0/s1