1-[6-[(3-chloranyl-1-benzothiophen-2-yl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[6-[(3-chloranyl-1-benzothiophen-2-yl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[[6-[(3-chlorobenzothiophen-2-yl)methylsulfanyl]-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[6-[(3-chloro-1-benzothiophen-2-yl)methylthio]-3-pyridinyl]sulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[6-[(3-chloro-1-benzothiophen-2-yl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[[6-[(3-chlorobenzothiophen-2-yl)methylthio]-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium Formula: C19H21ClN3O2S3+ MolecularWeight: 455.03694

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H20ClN3O2S3/c1-22-8-10-23(11-9-22)28(24,25)14-6-7-18(21-12-14)26-13-17-19(20)15-4-2-3-5-16(15)27-17/h2-7,12H,8-11,13H2,1H3/p+1