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

Systemtic Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-3-phenyl-1H-pyrazole-5-carboxamide Openeye Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide CAS Name: N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide IUPAC Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide Traditional Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=CC(=NN2)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)C2=CC(=NN2)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C20H22N4O2S/c25-20(17-13-16(22-23-17)15-5-2-1-3-6-15)21-14-18(19-7-4-12-27-19)24-8-10-26-11-9-24/h1-7,12-13,18H,8-11,14H2,(H,21,25)(H,22,23)/p+1/t18-/m0/s1