N-(1,3-benzothiazol-2-yl)-4-ethoxy-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N(CCC[NH+]2CCOCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N(CCC[NH+]2CCOCC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O3S/c1-2-29-19-10-8-18(9-11-19)22(27)26(13-5-12-25-14-16-28-17-15-25)23-24-20-6-3-4-7-21(20)30-23/h3-4,6-11H,2,5,12-17H2,1H3/p+1