4-[2-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethoxy]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethoxy]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethoxy]-4-oxo-butanoate CAS Name: 4-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]ethoxy]-4-oxobutanoate IUPAC Name: 4-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethoxy]-4-oxobutanoate Traditional Name: 4-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethoxy]-4-keto-butyrate Formula: C17H20ClN3O4S MolecularWeight: 397.8764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC(=O)CCC(=O)[O-])C2=NC3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCOC(=O)CCC(=O)[O-])C2=NC3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN3O4S/c18-12-1-2-13-14(11-12)26-17(19-13)21-7-5-20(6-8-21)9-10-25-16(24)4-3-15(22)23/h1-2,11H,3-10H2,(H,22,23)