N-[3-[4-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[3-[4-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[3-[4-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]phenyl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[3-[4-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-thiazolyl]phenyl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[3-[4-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[3-[4-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]phenyl]-2-morpholin-4-ium-4-yl-acetamide Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C2=CSC(=N2)C3=CC(=CC=C3)NC(=O)C[NH+]4CCOCC4)C

Isomeric SMILES

CCN1C(=CC(=C1C)C2=CSC(=N2)C3=CC(=CC=C3)NC(=O)C[NH+]4CCOCC4)C

InChI

InChI=1S/C23H28N4O2S/c1-4-27-16(2)12-20(17(27)3)21-15-30-23(25-21)18-6-5-7-19(13-18)24-22(28)14-26-8-10-29-11-9-26/h5-7,12-13,15H,4,8-11,14H2,1-3H3,(H,24,28)/p+1