N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-ethanamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-ethanamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-acetamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-phenylacetamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenylacetamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-acetamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2S/c1-17-14-20-21(15-18(17)2)29-23(24-20)26(9-8-25-10-12-28-13-11-25)22(27)16-19-6-4-3-5-7-19/h3-7,14-15H,8-13,16H2,1-2H3/p+1