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

Systemtic Name: 2-[(S)-(3-bromophenyl)-piperazin-4-ium-1-yl-methyl]-1,3-benzothiazole Openeye Name: 2-[(S)-(3-bromophenyl)-piperazin-4-ium-1-yl-methyl]-1,3-benzothiazole CAS Name: 2-[(S)-(3-bromophenyl)-(1-piperazin-4-iumyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[(S)-(3-bromophenyl)-piperazin-4-ium-1-ylmethyl]-1,3-benzothiazole Traditional Name: 2-[(S)-(3-bromophenyl)-piperazin-4-ium-1-yl-methyl]-1,3-benzothiazole Formula: C18H19BrN3S+ MolecularWeight: 389.33256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C2=CC(=CC=C2)Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H](C2=CC(=CC=C2)Br)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H18BrN3S/c19-14-5-3-4-13(12-14)17(22-10-8-20-9-11-22)18-21-15-6-1-2-7-16(15)23-18/h1-7,12,17,20H,8-11H2/p+1/t17-/m0/s1