[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-(thiophen-3-ylmethyl)azanium

Systemtic Name: [(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-(thiophen-3-ylmethyl)azanium Openeye Name: [(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-(3-thienylmethyl)ammonium CAS Name: [(1S)-1-(1,5-dimethyl-4-pyrazolyl)ethyl]-(3-thiophenylmethyl)ammonium IUPAC Name: [(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-(thiophen-3-ylmethyl)azanium Traditional Name: [(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-(3-thenyl)ammonium Formula: C12H18N3S+ MolecularWeight: 236.35642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(C)[NH2+]CC2=CSC=C2

Isomeric SMILES

CC1=C(C=NN1C)[C@H](C)[NH2+]CC2=CSC=C2

InChI

InChI=1S/C12H17N3S/c1-9(12-7-14-15(3)10(12)2)13-6-11-4-5-16-8-11/h4-5,7-9,13H,6H2,1-3H3/p+1/t9-/m0/s1