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

Systemtic Name: dimethyl-[(1S)-2-[(5-methyl-1-phenyl-pyrazol-4-yl)carbonylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(5-methyl-1-phenyl-pyrazole-4-carbonyl)amino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[(5-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]-1-thiophen-3-ylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[(5-methyl-1-phenyl-pyrazole-4-carbonyl)amino]-1-(3-thienyl)ethyl]ammonium Formula: C19H23N4OS+ MolecularWeight: 355.47712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4OS/c1-14-17(11-21-23(14)16-7-5-4-6-8-16)19(24)20-12-18(22(2)3)15-9-10-25-13-15/h4-11,13,18H,12H2,1-3H3,(H,20,24)/p+1/t18-/m1/s1