(3S)-1-(1H-benzimidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1H-benzimidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1H-benzimidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(1H-benzimidazol-2-ylmethyl)-N-[3-(1-pyrazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1H-benzimidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1H-benzimidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Formula: C23H25N6O+ MolecularWeight: 401.4842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC3=CC=CC=C3N2)C(=O)NC4=CC=CC(=C4)N5C=CC=N5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC3=CC=CC=C3N2)C(=O)NC4=CC=CC(=C4)N5C=CC=N5

InChI

InChI=1S/C23H24N6O/c30-23(25-18-7-3-8-19(14-18)29-13-5-11-24-29)17-6-4-12-28(15-17)16-22-26-20-9-1-2-10-21(20)27-22/h1-3,5,7-11,13-14,17H,4,6,12,15-16H2,(H,25,30)(H,26,27)/p+1/t17-/m0/s1