1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-(4-ethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-(4-ethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-(4-ethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4,5-dimethoxy-2-methyl-benzyl)-4-(4-ethylphenyl)sulfonyl-piperazin-1-ium Formula: C22H31N2O4S+ MolecularWeight: 419.55754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3C)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3C)OC)OC

InChI

InChI=1S/C22H30N2O4S/c1-5-18-6-8-20(9-7-18)29(25,26)24-12-10-23(11-13-24)16-19-15-22(28-4)21(27-3)14-17(19)2/h6-9,14-15H,5,10-13,16H2,1-4H3/p+1