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

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-[(4-ethoxy-3-methoxy-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-[(4-ethoxy-3-methoxy-phenyl)methyl]piperazin-4-ium CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[(4-ethoxy-3-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-[(4-ethoxy-3-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-(4-ethoxy-3-methoxy-benzyl)piperazin-4-ium Formula: C20H26ClN2O4S+ MolecularWeight: 425.94944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O4S/c1-3-27-19-9-4-16(14-20(19)26-2)15-22-10-12-23(13-11-22)28(24,25)18-7-5-17(21)6-8-18/h4-9,14H,3,10-13,15H2,1-2H3/p+1