1-(3,4-dimethoxyphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium Openeye Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[(5-methyl-2-furanyl)methyl]piperazin-4-ium IUPAC Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium Formula: C18H25N2O5S+ MolecularWeight: 381.4665

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C18H24N2O5S/c1-14-4-5-15(25-14)13-19-8-10-20(11-9-19)26(21,22)16-6-7-17(23-2)18(12-16)24-3/h4-7,12H,8-11,13H2,1-3H3/p+1