1-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonyl-piperazin-1-ium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonyl-piperazin-1-ium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylpiperazin-1-ium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylpiperazin-1-ium Traditional Name: 1-mesyl-4-veratryl-piperazin-4-ium Formula: C14H23N2O4S+ MolecularWeight: 315.40842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O4S/c1-19-13-5-4-12(10-14(13)20-2)11-15-6-8-16(9-7-15)21(3,17)18/h4-5,10H,6-9,11H2,1-3H3/p+1