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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+]3CCOCC3)C(=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+]3CCOCC3)C(=O)C4=CC(=CC=C4)OC

InChI

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