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

Systemtic Name: 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[(3,4-dichlorophenyl)methyl]-1-piperazin-4-iumyl]-1,3-benzothiazole IUPAC Name: 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-(3,4-dichlorobenzyl)piperazin-4-ium-1-yl]-1,3-benzothiazole Formula: C18H18Cl2N3S+ MolecularWeight: 379.32662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17Cl2N3S/c19-14-6-5-13(11-15(14)20)12-22-7-9-23(10-8-22)18-21-16-3-1-2-4-17(16)24-18/h1-6,11H,7-10,12H2/p+1