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

Systemtic Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-phenyl-pyrazole-4-carboxamide CAS Name: N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-3-phenyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-3-phenylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-phenyl-pyrazole-4-carboxamide Formula: C27H29N4O2S+ MolecularWeight: 473.60976

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C27H28N4O2S/c32-27(28-18-24(25-12-7-17-34-25)30-13-15-33-16-14-30)23-20-31(19-21-8-3-1-4-9-21)29-26(23)22-10-5-2-6-11-22/h1-12,17,20,24H,13-16,18-19H2,(H,28,32)/p+1/t24-/m0/s1