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

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ium-4-yl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-iumyl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-morpholin-4-ium-4-yl-acetamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C[NH+]4CCOCC4)C

InChI

InChI=1S/C22H25N3O2S/c1-16-8-9-19-21(17(16)2)23-22(28-19)25(14-18-6-4-3-5-7-18)20(26)15-24-10-12-27-13-11-24/h3-9H,10-15H2,1-2H3/p+1