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

Systemtic Name: (3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium Openeye Name: (1-allyl-3-methyl-pyrazol-4-yl)methyl-phenethyl-(4-pyridylmethyl)ammonium CAS Name: (3-methyl-1-prop-2-enyl-4-pyrazolyl)methyl-phenethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: (3-methyl-1-prop-2-enylpyrazol-4-yl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium Traditional Name: (1-allyl-3-methyl-pyrazol-4-yl)methyl-phenethyl-(4-pyridylmethyl)ammonium Formula: C22H27N4+ MolecularWeight: 347.47658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4/c1-3-14-26-18-22(19(2)24-26)17-25(16-21-9-12-23-13-10-21)15-11-20-7-5-4-6-8-20/h3-10,12-13,18H,1,11,14-17H2,2H3/p+1