N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]butanamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butyramide Formula: C19H28N3O2S+ MolecularWeight: 362.50952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CC[NH+]1CCOCC1)C2=NC3=C(S2)C=C(C(=C3)C)C

Isomeric SMILES

CCCC(=O)N(CC[NH+]1CCOCC1)C2=NC3=C(S2)C=C(C(=C3)C)C

InChI

InChI=1S/C19H27N3O2S/c1-4-5-18(23)22(7-6-21-8-10-24-11-9-21)19-20-16-12-14(2)15(3)13-17(16)25-19/h12-13H,4-11H2,1-3H3/p+1