N-[2-[4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxamide

Systemtic Name: N-[2-[4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxamide Openeye Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxamide CAS Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]ethyl]-2-furancarboxamide IUPAC Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxamide Traditional Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-2-furamide Formula: C19H22ClN4O2S+ MolecularWeight: 405.92158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)N3CC[NH+](CC3)CCNC(=O)C4=CC=CO4)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N3CC[NH+](CC3)CCNC(=O)C4=CC=CO4)Cl

InChI

InChI=1S/C19H21ClN4O2S/c1-13-14(20)4-5-16-17(13)22-19(27-16)24-10-8-23(9-11-24)7-6-21-18(25)15-3-2-12-26-15/h2-5,12H,6-11H2,1H3,(H,21,25)/p+1