N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-ethanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-ethanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-acetamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-phenylacetamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenylacetamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-acetamide Formula: C21H23ClN3O2S+ MolecularWeight: 416.94422

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN(C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCN(C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H22ClN3O2S/c22-17-6-7-18-19(15-17)28-21(23-18)25(9-8-24-10-12-27-13-11-24)20(26)14-16-4-2-1-3-5-16/h1-7,15H,8-14H2/p+1