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

Systemtic Name: 1-(4-ethoxyphenyl)sulfonyl-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-ethoxyphenyl)sulfonyl-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-ethoxyphenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-methoxy-5-methyl-benzyl)-4-p-phenetylsulfonyl-piperazin-1-ium Formula: C21H29N2O4S+ MolecularWeight: 405.53096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)C)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)C)OC

InChI

InChI=1S/C21H28N2O4S/c1-4-27-19-6-8-20(9-7-19)28(24,25)23-13-11-22(12-14-23)16-18-15-17(2)5-10-21(18)26-3/h5-10,15H,4,11-14,16H2,1-3H3/p+1