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

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-(2,5-dimethoxybenzyl)piperazin-4-ium Formula: C17H22ClN2O4S2+ MolecularWeight: 417.95058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C17H21ClN2O4S2/c1-23-14-3-4-15(24-2)13(11-14)12-19-7-9-20(10-8-19)26(21,22)17-6-5-16(18)25-17/h3-6,11H,7-10,12H2,1-2H3/p+1