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

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide Openeye Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]butanamide IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide Traditional Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butyramide Formula: C18H25ClN3O2S+ MolecularWeight: 382.928

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CC[NH+]1CCOCC1)C2=NC3=C(S2)C=CC(=C3C)Cl

Isomeric SMILES

CCCC(=O)N(CC[NH+]1CCOCC1)C2=NC3=C(S2)C=CC(=C3C)Cl

InChI

InChI=1S/C18H24ClN3O2S/c1-3-4-16(23)22(8-7-21-9-11-24-12-10-21)18-20-17-13(2)14(19)5-6-15(17)25-18/h5-6H,3-4,7-12H2,1-2H3/p+1