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

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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