diphenyl-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]methanol

Systemtic Name: diphenyl-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]methanol Openeye Name: diphenyl-[1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]methanol CAS Name: diphenyl-[1-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]methanol IUPAC Name: diphenyl-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]methanol Traditional Name: diphenyl-[1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]methanol Formula: C28H30N3O+ MolecularWeight: 424.5573

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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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O/c32-28(23-9-3-1-4-10-23,24-11-5-2-6-12-24)25-15-19-30(20-16-25)22-27-14-8-18-31(27)26-13-7-17-29-21-26/h1-14,17-18,21,25,32H,15-16,19-20,22H2/p+1