N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenoxy-propanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN(C2=NC3=CC=CC=C3S2)C(=O)CCOC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCN(C2=NC3=CC=CC=C3S2)C(=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3S/c27-22(11-16-29-19-7-2-1-3-8-19)26(13-6-12-25-14-17-28-18-15-25)23-24-20-9-4-5-10-21(20)30-23/h1-5,7-10H,6,11-18H2/p+1