2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-phenyl-ethanone

Systemtic Name: 2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-phenyl-ethanone Openeye Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-phenyl-ethanone CAS Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]-1-phenylethanone IUPAC Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-phenylethanone Traditional Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-phenyl-ethanone Formula: C19H19ClN3OS+ MolecularWeight: 372.89166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CC=CC=C2)C3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CC=CC=C2)C3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C19H18ClN3OS/c20-15-6-7-18-16(12-15)21-19(25-18)23-10-8-22(9-11-23)13-17(24)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2/p+1