N-(2-chlorophenyl)-2-[4-[(2-methylimino-1,3-benzothiazol-3-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-[(2-methylimino-1,3-benzothiazol-3-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-[(2-methylimino-1,3-benzothiazol-3-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[(2-methylimino-1,3-benzothiazol-3-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-[(2-methylimino-1,3-benzothiazol-3-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[(2-methylimino-1,3-benzothiazol-3-yl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C21H25ClN5OS+ MolecularWeight: 430.9741

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Descriptors Computed from Structure

Canonical SMILES:

CN=C1N(C2=CC=CC=C2S1)CN3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

CN=C1N(C2=CC=CC=C2S1)CN3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C21H24ClN5OS/c1-23-21-27(18-8-4-5-9-19(18)29-21)15-26-12-10-25(11-13-26)14-20(28)24-17-7-3-2-6-16(17)22/h2-9H,10-15H2,1H3,(H,24,28)/p+1