[1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol

Systemtic Name: [1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Openeye Name: [1-[[1-(2-morpholinoethyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol CAS Name: [1-[[1-[2-(4-morpholinyl)ethyl]-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]-diphenylmethanol IUPAC Name: [1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenylmethanol Traditional Name: [1-[[1-(2-morpholinoethyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Formula: C29H38N3O2+ MolecularWeight: 460.63092

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4=CC=CN4CCN5CCOCC5

Isomeric SMILES

C1C[NH+](CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4=CC=CN4CCN5CCOCC5

InChI

InChI=1S/C29H37N3O2/c33-29(25-8-3-1-4-9-25,26-10-5-2-6-11-26)27-13-16-31(17-14-27)24-28-12-7-15-32(28)19-18-30-20-22-34-23-21-30/h1-12,15,27,33H,13-14,16-24H2/p+1