(1-ethenyl-5-methyl-pyrazol-4-yl)methyl-(2-hydroxyethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: (1-ethenyl-5-methyl-pyrazol-4-yl)methyl-(2-hydroxyethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: 2-hydroxyethyl-[(5-methyl-1-vinyl-pyrazol-4-yl)methyl]-(2-thienylmethyl)ammonium CAS Name: (1-ethenyl-5-methyl-4-pyrazolyl)methyl-(2-hydroxyethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: (1-ethenyl-5-methylpyrazol-4-yl)methyl-(2-hydroxyethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: 2-hydroxyethyl-[(5-methyl-1-vinyl-pyrazol-4-yl)methyl]-(2-thenyl)ammonium Formula: C14H20N3OS+ MolecularWeight: 278.3931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C=C)C[NH+](CCO)CC2=CC=CS2

Isomeric SMILES

CC1=C(C=NN1C=C)C[NH+](CCO)CC2=CC=CS2

InChI

InChI=1S/C14H19N3OS/c1-3-17-12(2)13(9-15-17)10-16(6-7-18)11-14-5-4-8-19-14/h3-5,8-9,18H,1,6-7,10-11H2,2H3/p+1