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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]butanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butyramide Formula: C18H26N3O2S+ MolecularWeight: 348.48294

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O2S/c1-3-4-17(22)21(8-7-20-9-11-23-12-10-20)18-19-15-6-5-14(2)13-16(15)24-18/h5-6,13H,3-4,7-12H2,1-2H3/p+1