N-(2-morpholin-4-ium-4-ylethyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]acetamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]acetamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]acetamide Formula: C22H28N5O2S+ MolecularWeight: 426.55502

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C22H27N5O2S/c28-21(23-8-11-25-12-14-29-15-13-25)18-30-17-19-16-24-27(20-6-2-1-3-7-20)22(19)26-9-4-5-10-26/h1-7,9-10,16H,8,11-15,17-18H2,(H,23,28)/p+1