2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1,3-benzothiazole IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-1,3-benzothiazole Formula: C18H19ClN3S+ MolecularWeight: 344.88156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H18ClN3S/c19-15-7-5-14(6-8-15)13-21-9-11-22(12-10-21)18-20-16-3-1-2-4-17(16)23-18/h1-8H,9-13H2/p+1