1-[(3-methoxyphenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[(3-methoxyphenyl)methyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-m-anisyl-piperazin-4-ium Formula: C19H25N2O3S+ MolecularWeight: 361.4784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N2O3S/c1-24-19-9-5-8-18(14-19)15-20-10-12-21(13-11-20)25(22,23)16-17-6-3-2-4-7-17/h2-9,14H,10-13,15-16H2,1H3/p+1