2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-[(7-fluoranyl-2-thiophen-3-yl-quinolin-3-yl)methyl]azanium

Systemtic Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-[(7-fluoranyl-2-thiophen-3-yl-quinolin-3-yl)methyl]azanium Openeye Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-[[7-fluoro-2-(3-thienyl)-3-quinolyl]methyl]ammonium CAS Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-[[7-fluoro-2-(3-thiophenyl)-3-quinolinyl]methyl]ammonium IUPAC Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]azanium Traditional Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-[[7-fluoro-2-(3-thienyl)-3-quinolyl]methyl]ammonium Formula: C21H22FN4S+ MolecularWeight: 381.489583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CC[NH2+]CC2=C(N=C3C=C(C=CC3=C2)F)C4=CSC=C4

Isomeric SMILES

CC1=C(C(=NN1)C)CC[NH2+]CC2=C(N=C3C=C(C=CC3=C2)F)C4=CSC=C4

InChI

InChI=1S/C21H21FN4S/c1-13-19(14(2)26-25-13)5-7-23-11-17-9-15-3-4-18(22)10-20(15)24-21(17)16-6-8-27-12-16/h3-4,6,8-10,12,23H,5,7,11H2,1-2H3,(H,25,26)/p+1