(1-ethenyl-3-methyl-pyrazol-4-yl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: (1-ethenyl-3-methyl-pyrazol-4-yl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium Openeye Name: (3-methyl-1-vinyl-pyrazol-4-yl)methyl-phenethyl-(4-pyridylmethyl)ammonium CAS Name: (1-ethenyl-3-methyl-4-pyrazolyl)methyl-phenethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: (1-ethenyl-3-methylpyrazol-4-yl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium Traditional Name: (3-methyl-1-vinyl-pyrazol-4-yl)methyl-phenethyl-(4-pyridylmethyl)ammonium Formula: C21H25N4+ MolecularWeight: 333.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+](CCC2=CC=CC=C2)CC3=CC=NC=C3)C=C

Isomeric SMILES

CC1=NN(C=C1C[NH+](CCC2=CC=CC=C2)CC3=CC=NC=C3)C=C

InChI

InChI=1S/C21H24N4/c1-3-25-17-21(18(2)23-25)16-24(15-20-9-12-22-13-10-20)14-11-19-7-5-4-6-8-19/h3-10,12-13,17H,1,11,14-16H2,2H3/p+1