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

Systemtic Name: 1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-4-methylsulfonyl-piperazin-1-ium Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-methylsulfonyl-piperazin-1-ium CAS Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylsulfonylpiperazin-1-ium IUPAC Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylsulfonylpiperazin-1-ium Traditional Name: 1-(3-benzoxy-4-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=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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