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

Systemtic Name: dimethyl-[(1S)-2-[[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]carbonylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[3-(5-methyl-2-furyl)-1-phenyl-pyrazole-4-carbonyl]amino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[[3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]-1-thiophen-3-ylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[[3-(5-methyl-2-furyl)-1-phenyl-pyrazole-4-carbonyl]amino]-1-(3-thienyl)ethyl]ammonium Formula: C23H25N4O2S+ MolecularWeight: 421.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C(=O)NCC(C3=CSC=C3)[NH+](C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2C(=O)NC[C@H](C3=CSC=C3)[NH+](C)C)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O2S/c1-16-9-10-21(29-16)22-19(14-27(25-22)18-7-5-4-6-8-18)23(28)24-13-20(26(2)3)17-11-12-30-15-17/h4-12,14-15,20H,13H2,1-3H3,(H,24,28)/p+1/t20-/m1/s1