[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl-(furan-2-ylmethyl)-(pyridin-3-ylmethyl)azanium

Systemtic Name: [3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl-(furan-2-ylmethyl)-(pyridin-3-ylmethyl)azanium Openeye Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl-(2-furylmethyl)-(3-pyridylmethyl)ammonium CAS Name: [3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl-(2-furanylmethyl)-(3-pyridinylmethyl)ammonium IUPAC Name: (1-benzyl-3,5-dimethylpyrazol-4-yl)methyl-(furan-2-ylmethyl)-(pyridin-3-ylmethyl)azanium Traditional Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl-(2-furfuryl)-(3-pyridylmethyl)ammonium Formula: C24H27N4O+ MolecularWeight: 387.49738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C[NH+](CC3=CN=CC=C3)CC4=CC=CO4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C[NH+](CC3=CN=CC=C3)CC4=CC=CO4

InChI

InChI=1S/C24H26N4O/c1-19-24(20(2)28(26-19)16-21-8-4-3-5-9-21)18-27(17-23-11-7-13-29-23)15-22-10-6-12-25-14-22/h3-14H,15-18H2,1-2H3/p+1