(1-ethyl-5-methyl-pyrazol-4-yl)methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: (1-ethyl-5-methyl-pyrazol-4-yl)methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: (1-ethyl-5-methyl-pyrazol-4-yl)methyl-(3-pyridylmethyl)-(2-thienylmethyl)ammonium CAS Name: (1-ethyl-5-methyl-4-pyrazolyl)methyl-(3-pyridinylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: (1-ethyl-5-methylpyrazol-4-yl)methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: (1-ethyl-5-methyl-pyrazol-4-yl)methyl-(3-pyridylmethyl)-(2-thenyl)ammonium Formula: C18H23N4S+ MolecularWeight: 327.46702

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C[NH+](CC2=CN=CC=C2)CC3=CC=CS3)C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH+](CC2=CN=CC=C2)CC3=CC=CS3)C

InChI

InChI=1S/C18H22N4S/c1-3-22-15(2)17(11-20-22)13-21(14-18-7-5-9-23-18)12-16-6-4-8-19-10-16/h4-11H,3,12-14H2,1-2H3/p+1