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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H24N4OS/c1-15-6-5-8-18(16(15)2)25-12-10-24(11-13-25)14-20(26)23-21-22-17-7-3-4-9-19(17)27-21/h3-9H,10-14H2,1-2H3,(H,22,23,26)/p+1