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

Systemtic Name: N-[2-[4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-2,2-dimethyl-propanamide Openeye Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-2,2-dimethyl-propanamide CAS Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]ethyl]-2,2-dimethylpropanamide IUPAC Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-2,2-dimethylpropanamide Traditional Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-2,2-dimethyl-propionamide Formula: C19H28ClN4OS+ MolecularWeight: 395.96982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN4OS/c1-13-14(20)5-6-15-16(13)22-18(26-15)24-11-9-23(10-12-24)8-7-21-17(25)19(2,3)4/h5-6H,7-12H2,1-4H3,(H,21,25)/p+1