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

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-besyl-4-(3-ethoxy-4-methoxy-benzyl)piperazin-4-ium Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S/c1-3-26-20-15-17(9-10-19(20)25-2)16-21-11-13-22(14-12-21)27(23,24)18-7-5-4-6-8-18/h4-10,15H,3,11-14,16H2,1-2H3/p+1