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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)butanamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)butanamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]butanamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)butanamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)butyramide Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CCC[NH+]1CCOCC1)C2=NC3=C(C=C(C=C3S2)C)C

Isomeric SMILES

CCCC(=O)N(CCC[NH+]1CCOCC1)C2=NC3=C(C=C(C=C3S2)C)C

InChI

InChI=1S/C20H29N3O2S/c1-4-6-18(24)23(8-5-7-22-9-11-25-12-10-22)20-21-19-16(3)13-15(2)14-17(19)26-20/h13-14H,4-12H2,1-3H3/p+1