(3,5-dimethyl-2-pyrazol-1-yl-phenyl)methyl-(furan-2-ylmethyl)-(pyridin-3-ylmethyl)azanium

Systemtic Name: (3,5-dimethyl-2-pyrazol-1-yl-phenyl)methyl-(furan-2-ylmethyl)-(pyridin-3-ylmethyl)azanium Openeye Name: (3,5-dimethyl-2-pyrazol-1-yl-phenyl)methyl-(2-furylmethyl)-(3-pyridylmethyl)ammonium CAS Name: [3,5-dimethyl-2-(1-pyrazolyl)phenyl]methyl-(2-furanylmethyl)-(3-pyridinylmethyl)ammonium IUPAC Name: (3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl-(furan-2-ylmethyl)-(pyridin-3-ylmethyl)azanium Traditional Name: (3,5-dimethyl-2-pyrazol-1-yl-benzyl)-(2-furfuryl)-(3-pyridylmethyl)ammonium Formula: C23H25N4O+ MolecularWeight: 373.4708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C[NH+](CC2=CN=CC=C2)CC3=CC=CO3)N4C=CC=N4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C[NH+](CC2=CN=CC=C2)CC3=CC=CO3)N4C=CC=N4)C

InChI

InChI=1S/C23H24N4O/c1-18-12-19(2)23(27-10-5-9-25-27)21(13-18)16-26(17-22-7-4-11-28-22)15-20-6-3-8-24-14-20/h3-14H,15-17H2,1-2H3/p+1