N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)butanamide

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)butanamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)butanamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]butanamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)butanamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)butyramide Formula: C18H25ClN3O2S+ MolecularWeight: 382.928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CCC[NH+]1CCOCC1)C2=NC3=C(S2)C=CC=C3Cl

Isomeric SMILES

CCCC(=O)N(CCC[NH+]1CCOCC1)C2=NC3=C(S2)C=CC=C3Cl

InChI

InChI=1S/C18H24ClN3O2S/c1-2-5-16(23)22(9-4-8-21-10-12-24-13-11-21)18-20-17-14(19)6-3-7-15(17)25-18/h3,6-7H,2,4-5,8-13H2,1H3/p+1