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

Systemtic Name: N-[2-[4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]ethanamide Openeye Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]acetamide CAS Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]ethyl]acetamide IUPAC Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]acetamide Traditional Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]acetamide Formula: C16H22ClN4OS+ MolecularWeight: 353.89008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN4OS/c1-11-13(17)3-4-14-15(11)19-16(23-14)21-9-7-20(8-10-21)6-5-18-12(2)22/h3-4H,5-10H2,1-2H3,(H,18,22)/p+1