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

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-ethanamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-acetamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-phenylacetamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenylacetamide Traditional Name: N-(4,5-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=C(C2=C(C=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)CC4=CC=CC=C4)C

InChI

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