1-[(4-ethoxyphenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium

Systemtic Name: 1-[(4-ethoxyphenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[(4-ethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[(4-ethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(4-ethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-besyl-4-(4-ethoxybenzyl)piperazin-4-ium Formula: C19H25N2O3S+ MolecularWeight: 361.4784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H24N2O3S/c1-2-24-18-10-8-17(9-11-18)16-20-12-14-21(15-13-20)25(22,23)19-6-4-3-5-7-19/h3-11H,2,12-16H2,1H3/p+1