1-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-methylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-methylsulfonyl-piperazin-1-ium Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-methylsulfonyl-piperazin-1-ium CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methylsulfonylpiperazin-1-ium IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methylsulfonylpiperazin-1-ium Traditional Name: 1-(4-ethoxy-3-methoxy-benzyl)-4-mesyl-piperazin-1-ium Formula: C15H25N2O4S+ MolecularWeight: 329.435

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C)OC

InChI

InChI=1S/C15H24N2O4S/c1-4-21-14-6-5-13(11-15(14)20-2)12-16-7-9-17(10-8-16)22(3,18)19/h5-6,11H,4,7-10,12H2,1-3H3/p+1