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

Systemtic Name: [(1S)-2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NCC(C3=CSC=C3)[NH+](C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC[C@H](C3=CSC=C3)[NH+](C)C)C

InChI

InChI=1S/C20H24N4OS/c1-14-11-15(2)24(22-14)18-7-5-16(6-8-18)20(25)21-12-19(23(3)4)17-9-10-26-13-17/h5-11,13,19H,12H2,1-4H3,(H,21,25)/p+1/t19-/m1/s1