2-[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]pyridine

Systemtic Name: 2-[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]pyridine Openeye Name: 2-[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]pyridine CAS Name: 2-[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-2-pyrrolidin-1-iumyl]pyridine IUPAC Name: 2-[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]pyridine Traditional Name: 2-[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]pyridine Formula: C26H27N4O+ MolecularWeight: 411.51878

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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+]4CCCC4C5=CC=CC=N5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+]4CCC[C@H]4C5=CC=CC=N5

InChI

InChI=1S/C26H26N4O/c1-29-18-21(19-30-17-7-11-25(30)24-10-5-6-16-27-24)26(28-29)20-12-14-23(15-13-20)31-22-8-3-2-4-9-22/h2-6,8-10,12-16,18,25H,7,11,17,19H2,1H3/p+1/t25-/m0/s1