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

Systemtic Name: 3-(4-methoxyphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(4-methoxyphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(4-methoxyphenyl)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(4-methoxyphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(4-methoxyphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-1-phenyl-pyrazole-4-carboxamide Formula: C27H29N4O3S+ MolecularWeight: 489.60916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O3S/c1-33-22-11-9-20(10-12-22)26-23(19-31(29-26)21-6-3-2-4-7-21)27(32)28-18-24(25-8-5-17-35-25)30-13-15-34-16-14-30/h2-12,17,19,24H,13-16,18H2,1H3,(H,28,32)/p+1/t24-/m0/s1