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

Systemtic Name: 3-[4-(4-phenoxybutyl)piperazin-4-ium-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-(4-phenoxybutyl)piperazin-4-ium-1-yl]-1,2-benzothiazole CAS Name: 3-[4-(4-phenoxybutyl)-1-piperazin-4-iumyl]-1,2-benzothiazole IUPAC Name: 3-[4-(4-phenoxybutyl)piperazin-4-ium-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-(4-phenoxybutyl)piperazin-4-ium-1-yl]-1,2-benzothiazole Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCOC2=CC=CC=C2)C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CCCCOC2=CC=CC=C2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C21H25N3OS/c1-2-8-18(9-3-1)25-17-7-6-12-23-13-15-24(16-14-23)21-19-10-4-5-11-20(19)26-22-21/h1-5,8-11H,6-7,12-17H2/p+1