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

Systemtic Name: [3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl-(furan-2-ylmethyl)-(pyridin-3-ylmethyl)azanium Openeye Name: [3,5-dimethyl-1-(2-methylallyl)pyrazol-4-yl]methyl-(2-furylmethyl)-(3-pyridylmethyl)ammonium CAS Name: [3,5-dimethyl-1-(2-methylprop-2-enyl)-4-pyrazolyl]methyl-(2-furanylmethyl)-(3-pyridinylmethyl)ammonium IUPAC Name: [3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl-(furan-2-ylmethyl)-(pyridin-3-ylmethyl)azanium Traditional Name: [3,5-dimethyl-1-(2-methylallyl)pyrazol-4-yl]methyl-(2-furfuryl)-(3-pyridylmethyl)ammonium Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=C)C)C)C[NH+](CC2=CN=CC=C2)CC3=CC=CO3

Isomeric SMILES

CC1=C(C(=NN1CC(=C)C)C)C[NH+](CC2=CN=CC=C2)CC3=CC=CO3

InChI

InChI=1S/C21H26N4O/c1-16(2)12-25-18(4)21(17(3)23-25)15-24(14-20-8-6-10-26-20)13-19-7-5-9-22-11-19/h5-11H,1,12-15H2,2-4H3/p+1