1-(5-chloranylthiophen-2-yl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium Formula: C17H22ClN2O3S2+ MolecularWeight: 401.95118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC1=CC=CC=C1OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C17H21ClN2O3S2/c1-14-4-2-3-5-15(14)23-13-12-19-8-10-20(11-9-19)25(21,22)17-7-6-16(18)24-17/h2-7H,8-13H2,1H3/p+1