N-[(1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N,1-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-[(1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N,1-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[(1R)-1-(1-indan-2-ylpiperidin-1-ium-4-yl)-2-phenyl-ethyl]-N,1-dimethyl-pyrazole-3-carboxamide CAS Name: N-[(1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]-2-phenylethyl]-N,1-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[(1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide Traditional Name: N-[(1R)-1-(1-indan-2-ylpiperidin-1-ium-4-yl)-2-phenyl-ethyl]-N,1-dimethyl-pyrazole-3-carboxamide Formula: C28H35N4O+ MolecularWeight: 443.6037

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)C4CC5=CC=CC=C5C4

Isomeric SMILES

CN1C=CC(=N1)C(=O)N(C)[C@H](CC2=CC=CC=C2)C3CC[NH+](CC3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C28H34N4O/c1-30-15-14-26(29-30)28(33)31(2)27(18-21-8-4-3-5-9-21)22-12-16-32(17-13-22)25-19-23-10-6-7-11-24(23)20-25/h3-11,14-15,22,25,27H,12-13,16-20H2,1-2H3/p+1/t27-/m1/s1