[(1S)-2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(5-chloro-1,3-dimethyl-pyrazole-4-carbonyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(5-chloro-1,3-dimethyl-4-pyrazolyl)-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(5-chloro-1,3-dimethyl-pyrazole-4-carbonyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C14H20ClN4OS+ MolecularWeight: 327.8528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC(C2=CSC=C2)[NH+](C)C)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC[C@H](C2=CSC=C2)[NH+](C)C)Cl)C

InChI

InChI=1S/C14H19ClN4OS/c1-9-12(13(15)19(4)17-9)14(20)16-7-11(18(2)3)10-5-6-21-8-10/h5-6,8,11H,7H2,1-4H3,(H,16,20)/p+1/t11-/m1/s1