1-[(2-methylphenyl)methyl]-4-(4-propylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-methylphenyl)methyl]-4-(4-propylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(o-tolylmethyl)-4-(4-propylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(2-methylphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2-methylphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-methylbenzyl)-4-(4-propylphenyl)sulfonyl-piperazin-1-ium Formula: C21H29N2O2S+ MolecularWeight: 373.53216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C21H28N2O2S/c1-3-6-19-9-11-21(12-10-19)26(24,25)23-15-13-22(14-16-23)17-20-8-5-4-7-18(20)2/h4-5,7-12H,3,6,13-17H2,1-2H3/p+1