N,1-dimethyl-N-[(1R)-2-phenyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]ethyl]pyrazole-3-carboxamide

Systemtic Name: N,1-dimethyl-N-[(1R)-2-phenyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]ethyl]pyrazole-3-carboxamide Openeye Name: N,1-dimethyl-N-[(1R)-2-phenyl-1-[1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]ethyl]pyrazole-3-carboxamide CAS Name: N,1-dimethyl-N-[(1R)-2-phenyl-1-[1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]ethyl]-3-pyrazolecarboxamide IUPAC Name: N,1-dimethyl-N-[(1R)-2-phenyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]ethyl]pyrazole-3-carboxamide Traditional Name: N,1-dimethyl-N-[(1R)-2-phenyl-1-[1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]ethyl]pyrazole-3-carboxamide Formula: C29H35N6O+ MolecularWeight: 483.6278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)N(C)C(CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=CN4C5=CC=CC=N5

Isomeric SMILES

CN1C=CC(=N1)C(=O)N(C)[C@H](CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=CN4C5=CC=CC=N5

InChI

InChI=1S/C29H34N6O/c1-32-18-15-26(31-32)29(36)33(2)27(21-23-9-4-3-5-10-23)24-13-19-34(20-14-24)22-25-11-8-17-35(25)28-12-6-7-16-30-28/h3-12,15-18,24,27H,13-14,19-22H2,1-2H3/p+1/t27-/m1/s1