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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[(2-chlorophenyl)methyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[(2-chlorophenyl)methyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-N-[(2-chlorophenyl)methyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[(2-chlorophenyl)methyl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2-chlorobenzyl)acetamide Formula: C21H24ClN4OS+ MolecularWeight: 415.95946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2Cl)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2Cl)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23ClN4OS/c22-17-6-2-1-5-16(17)13-23-20(27)14-25-9-11-26(12-10-25)15-21-24-18-7-3-4-8-19(18)28-21/h1-8H,9-15H2,(H,23,27)/p+1