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

Systemtic Name: 3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1,2-benzothiazole CAS Name: 3-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-1,2-benzothiazole IUPAC Name: 3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1,2-benzothiazole Formula: C19H22N3OS+ MolecularWeight: 340.46248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C19H21N3OS/c1-2-6-16(7-3-1)23-15-14-21-10-12-22(13-11-21)19-17-8-4-5-9-18(17)24-20-19/h1-9H,10-15H2/p+1