(1,3-dimethylpyrazol-4-yl)methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: (1,3-dimethylpyrazol-4-yl)methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: (1,3-dimethylpyrazol-4-yl)methyl-(3-pyridylmethyl)-(2-thienylmethyl)ammonium CAS Name: (1,3-dimethyl-4-pyrazolyl)methyl-(3-pyridinylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: (1,3-dimethylpyrazol-4-yl)methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: (1,3-dimethylpyrazol-4-yl)methyl-(3-pyridylmethyl)-(2-thenyl)ammonium Formula: C17H21N4S+ MolecularWeight: 313.44044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4S/c1-14-16(11-20(2)19-14)12-21(13-17-6-4-8-22-17)10-15-5-3-7-18-9-15/h3-9,11H,10,12-13H2,1-2H3/p+1