1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]pyrazole-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]pyrazole-4-carboxamide Openeye Name: 1-(4-fluorophenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-(p-tolyl)pyrazole-4-carboxamide CAS Name: 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-4-pyrazolecarboxamide IUPAC Name: 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]pyrazole-4-carboxamide Traditional Name: 1-(4-fluorophenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-(p-tolyl)pyrazole-4-carboxamide Formula: C27H28FN4O2S+ MolecularWeight: 491.600223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCOCC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H27FN4O2S/c1-19-4-6-20(7-5-19)26-23(18-32(30-26)22-10-8-21(28)9-11-22)27(33)29-17-24(25-3-2-16-35-25)31-12-14-34-15-13-31/h2-11,16,18,24H,12-15,17H2,1H3,(H,29,33)/p+1/t24-/m0/s1