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

Systemtic Name: N-[2-[4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-2-methyl-propanamide Openeye Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-2-methyl-propanamide CAS Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]ethyl]-2-methylpropanamide IUPAC Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-2-methylpropanamide Traditional Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-2-methyl-propionamide Formula: C18H26ClN4OS+ MolecularWeight: 381.94324

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN4OS/c1-12(2)17(24)20-6-7-22-8-10-23(11-9-22)18-21-16-13(3)14(19)4-5-15(16)25-18/h4-5,12H,6-11H2,1-3H3,(H,20,24)/p+1