1-[(2,5-dimethoxyphenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-(2,5-dimethoxybenzyl)-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C17H23N2O4S2+ MolecularWeight: 383.50552

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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=CS3

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S2/c1-22-15-5-6-16(23-2)14(12-15)13-18-7-9-19(10-8-18)25(20,21)17-4-3-11-24-17/h3-6,11-12H,7-10,13H2,1-2H3/p+1