1-(5-chloranylthiophen-2-yl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-(o-tolylmethyl)piperazin-4-ium CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-4-[(2-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-(2-methylbenzyl)piperazin-4-ium Formula: C16H20ClN2O2S2+ MolecularWeight: 371.9252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H19ClN2O2S2/c1-13-4-2-3-5-14(13)12-18-8-10-19(11-9-18)23(20,21)16-7-6-15(17)22-16/h2-7H,8-12H2,1H3/p+1