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

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-methylsulfonyl-piperazin-1-ium Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-methylsulfonyl-piperazin-1-ium CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methylsulfonylpiperazin-1-ium IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methylsulfonylpiperazin-1-ium Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)-4-mesyl-piperazin-1-ium Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C)OCC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O4S/c1-25-20-14-18(15-21-10-12-22(13-11-21)27(2,23)24)8-9-19(20)26-16-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3/p+1