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

Systemtic Name: diphenyl-[1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]methanol Openeye Name: diphenyl-[1-[(1-thiazol-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]methanol CAS Name: diphenyl-[1-[[1-(2-thiazolyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]methanol IUPAC Name: diphenyl-[1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]methanol Traditional Name: diphenyl-[1-[(1-thiazol-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]methanol Formula: C26H28N3OS+ MolecularWeight: 430.58502

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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=NC=CS5

Isomeric SMILES

C1C[NH+](CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4=CC=CN4C5=NC=CS5

InChI

InChI=1S/C26H27N3OS/c30-26(21-8-3-1-4-9-21,22-10-5-2-6-11-22)23-13-17-28(18-14-23)20-24-12-7-16-29(24)25-27-15-19-31-25/h1-12,15-16,19,23,30H,13-14,17-18,20H2/p+1