N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-(5-ethyl-4-phenyl-thiazol-2-yl)-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-(5-ethyl-4-phenyl-2-thiazolyl)-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-(5-ethyl-4-phenyl-thiazol-2-yl)-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(S1)NC(=O)C[NH+]2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(N=C(S1)NC(=O)C[NH+]2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3OS/c1-2-14-16(13-8-4-3-5-9-13)19-17(22-14)18-15(21)12-20-10-6-7-11-20/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,18,19,21)/p+1