1-[(2,5-dimethoxyphenyl)methyl]-4-(2-methoxy-5-methyl-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(2-methoxy-5-methyl-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(2-methoxy-5-methyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2,5-dimethoxybenzyl)-4-(2-methoxy-5-methyl-phenyl)sulfonyl-piperazin-1-ium Formula: C21H29N2O5S+ MolecularWeight: 421.53036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H28N2O5S/c1-16-5-7-20(28-4)21(13-16)29(24,25)23-11-9-22(10-12-23)15-17-14-18(26-2)6-8-19(17)27-3/h5-8,13-14H,9-12,15H2,1-4H3/p+1