[1-[[1-(2-chloranylpyridin-3-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol

Systemtic Name: [1-[[1-(2-chloranylpyridin-3-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Openeye Name: [1-[[1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol CAS Name: [1-[[1-(2-chloro-3-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]-diphenylmethanol IUPAC Name: [1-[[1-(2-chloropyridin-3-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenylmethanol Traditional Name: [1-[[1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Formula: C28H29ClN3O+ MolecularWeight: 459.00236

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4=CC=CN4C5=C(N=CC=C5)Cl

Isomeric SMILES

C1C[NH+](CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4=CC=CN4C5=C(N=CC=C5)Cl

InChI

InChI=1S/C28H28ClN3O/c29-27-26(14-7-17-30-27)32-18-8-13-25(32)21-31-19-15-24(16-20-31)28(33,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,17-18,24,33H,15-16,19-21H2/p+1