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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]butanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butyramide Formula: C17H23ClN3O2S+ MolecularWeight: 368.90142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN3O2S/c1-2-3-16(22)21(7-6-20-8-10-23-11-9-20)17-19-14-5-4-13(18)12-15(14)24-17/h4-5,12H,2-3,6-11H2,1H3/p+1