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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)propionamide Formula: C18H26N3O2S+ MolecularWeight: 348.48294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)CCC1=NC2=CC=CC=C2S1)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)CCC1=NC2=CC=CC=C2S1)[NH+]3CCOCC3

InChI

InChI=1S/C18H25N3O2S/c1-18(2,21-9-11-23-12-10-21)13-19-16(22)7-8-17-20-14-5-3-4-6-15(14)24-17/h3-6H,7-13H2,1-2H3,(H,19,22)/p+1