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

Systemtic Name: (3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: (1-allyl-3-methyl-pyrazol-4-yl)methyl-(3-pyridylmethyl)-(2-thienylmethyl)ammonium CAS Name: (3-methyl-1-prop-2-enyl-4-pyrazolyl)methyl-(3-pyridinylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: (3-methyl-1-prop-2-enylpyrazol-4-yl)methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: (1-allyl-3-methyl-pyrazol-4-yl)methyl-(3-pyridylmethyl)-(2-thenyl)ammonium Formula: C19H23N4S+ MolecularWeight: 339.47772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+](CC2=CN=CC=C2)CC3=CC=CS3)CC=C

Isomeric SMILES

CC1=NN(C=C1C[NH+](CC2=CN=CC=C2)CC3=CC=CS3)CC=C

InChI

InChI=1S/C19H22N4S/c1-3-9-23-14-18(16(2)21-23)13-22(15-19-7-5-10-24-19)12-17-6-4-8-20-11-17/h3-8,10-11,14H,1,9,12-13,15H2,2H3/p+1