[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-bromophenyl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-bromophenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-bromophenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(4-bromophenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-bromophenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-bromophenyl)methanone Formula: C19H19BrN3OS+ MolecularWeight: 417.34266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H18BrN3OS/c20-15-7-5-14(6-8-15)19(24)23-11-9-22(10-12-23)13-18-21-16-3-1-2-4-17(16)25-18/h1-8H,9-13H2/p+1