4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1-methyl-3-(4-phenoxyphenyl)pyrazole

Systemtic Name: 4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1-methyl-3-(4-phenoxyphenyl)pyrazole Openeye Name: 4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1-methyl-3-(4-phenoxyphenyl)pyrazole CAS Name: 4-[[(3S)-3-(methoxymethyl)-1-pyrrolidin-1-iumyl]methyl]-1-methyl-3-(4-phenoxyphenyl)pyrazole IUPAC Name: 4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1-methyl-3-(4-phenoxyphenyl)pyrazole Traditional Name: 4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1-methyl-3-(4-phenoxyphenyl)pyrazole Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+]4CCC(C4)COC

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+]4CC[C@@H](C4)COC

InChI

InChI=1S/C23H27N3O2/c1-25-15-20(16-26-13-12-18(14-26)17-27-2)23(24-25)19-8-10-22(11-9-19)28-21-6-4-3-5-7-21/h3-11,15,18H,12-14,16-17H2,1-2H3/p+1/t18-/m0/s1