N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-phenylacetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-acetamide Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN(C2=NC3=CC=CC=C3S2)C(=O)CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCN(C2=NC3=CC=CC=C3S2)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S/c25-20(16-17-6-2-1-3-7-17)24(11-10-23-12-14-26-15-13-23)21-22-18-8-4-5-9-19(18)27-21/h1-9H,10-16H2/p+1