(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl-(phenylmethyl)-(pyridin-4-ylmethyl)azanium

Systemtic Name: (3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl-(phenylmethyl)-(pyridin-4-ylmethyl)azanium Openeye Name: (1-allyl-3-methyl-pyrazol-4-yl)methyl-benzyl-(4-pyridylmethyl)ammonium CAS Name: (3-methyl-1-prop-2-enyl-4-pyrazolyl)methyl-(phenylmethyl)-(pyridin-4-ylmethyl)ammonium IUPAC Name: benzyl-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (1-allyl-3-methyl-pyrazol-4-yl)methyl-benzyl-(4-pyridylmethyl)ammonium Formula: C21H25N4+ MolecularWeight: 333.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+](CC2=CC=CC=C2)CC3=CC=NC=C3)CC=C

Isomeric SMILES

CC1=NN(C=C1C[NH+](CC2=CC=CC=C2)CC3=CC=NC=C3)CC=C

InChI

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