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

Systemtic Name: 2-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-1,3-benzothiazole IUPAC Name: 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Formula: C19H21ClN3OS+ MolecularWeight: 374.90754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20ClN3OS/c20-15-5-7-16(8-6-15)24-14-13-22-9-11-23(12-10-22)19-21-17-3-1-2-4-18(17)25-19/h1-8H,9-14H2/p+1