N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-propanamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-propanamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-propanamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-phenylpropanamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpropanamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-propionamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2S/c1-18-6-5-9-20-22(18)24-23(29-20)26(13-12-25-14-16-28-17-15-25)21(27)11-10-19-7-3-2-4-8-19/h2-9H,10-17H2,1H3/p+1