1-thiophen-2-ylsulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-thiophen-2-ylsulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2-thienylsulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-thiophen-2-ylsulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-thiophen-2-ylsulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-thienylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazin-4-ium Formula: C18H25N2O5S2+ MolecularWeight: 413.5315

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)OC)OC

InChI

InChI=1S/C18H24N2O5S2/c1-23-15-7-6-14(17(24-2)18(15)25-3)13-19-8-10-20(11-9-19)27(21,22)16-5-4-12-26-16/h4-7,12H,8-11,13H2,1-3H3/p+1