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

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxy-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-16-14-20-21(15-17(16)2)30-23(24-20)26(9-8-25-10-12-29-13-11-25)22(27)18-4-6-19(28-3)7-5-18/h4-7,14-15H,8-13H2,1-3H3/p+1