2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-chloranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-chloranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-chloro-4-methyl-phenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(2-chloro-4-methylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-chloro-4-methylphenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-chloro-4-methyl-phenyl)acetamide Formula: C21H25ClN4OS+2 MolecularWeight: 416.9674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H23ClN4OS/c1-15-6-7-17(16(22)12-15)23-20(27)13-25-8-10-26(11-9-25)14-21-24-18-4-2-3-5-19(18)28-21/h2-7,12H,8-11,13-14H2,1H3,(H,23,27)/p+2