4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole

Systemtic Name: 4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole Openeye Name: 4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole CAS Name: 4-[[(3S)-3-(methoxymethyl)-1-pyrrolidin-1-iumyl]methyl]-5-(4-phenylphenyl)-1H-pyrazole IUPAC Name: 4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole Traditional Name: 4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole Formula: C22H26N3O+ MolecularWeight: 348.46134

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CC[NH+](C1)CC2=C(NN=C2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COC[C@H]1CC[NH+](C1)CC2=C(NN=C2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O/c1-26-16-17-11-12-25(14-17)15-21-13-23-24-22(21)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-10,13,17H,11-12,14-16H2,1H3,(H,23,24)/p+1/t17-/m0/s1