1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: 1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: 1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]-N-(2-pyridylmethyl)piperidin-1-ium-3-carboxamide CAS Name: 1-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-N-(2-pyridinylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: 1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]-N-(2-pyridylmethyl)piperidin-1-ium-3-carboxamide Formula: C26H29N6O+ MolecularWeight: 441.54806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)C(=O)NCC5=CC=CC=N5

Isomeric SMILES

C1CC(C[NH+](C1)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)C(=O)NCC5=CC=CC=N5

InChI

InChI=1S/C26H28N6O/c33-25(28-18-23-10-4-5-13-27-23)21-9-8-14-30(19-21)20-22-17-29-32(24-11-2-1-3-12-24)26(22)31-15-6-7-16-31/h1-7,10-13,15-17,21H,8-9,14,18-20H2,(H,28,33)/p+1