2-hydroxyethyl-[(1-phenylpyrazol-4-yl)methyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: 2-hydroxyethyl-[(1-phenylpyrazol-4-yl)methyl]-(thiophen-2-ylmethyl)azanium Openeye Name: 2-hydroxyethyl-[(1-phenylpyrazol-4-yl)methyl]-(2-thienylmethyl)ammonium CAS Name: 2-hydroxyethyl-[(1-phenyl-4-pyrazolyl)methyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: 2-hydroxyethyl-[(1-phenylpyrazol-4-yl)methyl]-(thiophen-2-ylmethyl)azanium Traditional Name: 2-hydroxyethyl-[(1-phenylpyrazol-4-yl)methyl]-(2-thenyl)ammonium Formula: C17H20N3OS+ MolecularWeight: 314.4252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C[NH+](CCO)CC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C[NH+](CCO)CC3=CC=CS3

InChI

InChI=1S/C17H19N3OS/c21-9-8-19(14-17-7-4-10-22-17)12-15-11-18-20(13-15)16-5-2-1-3-6-16/h1-7,10-11,13,21H,8-9,12,14H2/p+1