3-(2,5-dimethoxyphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(2,5-dimethoxyphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(2,5-dimethoxyphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(2,5-dimethoxyphenyl)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(2,5-dimethoxyphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(2,5-dimethoxyphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-1-phenyl-pyrazole-4-carboxamide Formula: C28H31N4O4S+ MolecularWeight: 519.63514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NN(C=C2C(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NN(C=C2C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4O4S/c1-34-21-10-11-25(35-2)22(17-21)27-23(19-32(30-27)20-7-4-3-5-8-20)28(33)29-18-24(26-9-6-16-37-26)31-12-14-36-15-13-31/h3-11,16-17,19,24H,12-15,18H2,1-2H3,(H,29,33)/p+1/t24-/m0/s1