1-[(4-ethylphenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-ethylphenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-[(4-ethylphenyl)methyl]piperazin-4-ium CAS Name: 1-[(4-ethylphenyl)methyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-[(4-ethylphenyl)methyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-(4-ethylbenzyl)piperazin-4-ium Formula: C20H27N2O2S+ MolecularWeight: 359.50558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O2S/c1-2-18-8-10-19(11-9-18)16-21-12-14-22(15-13-21)25(23,24)17-20-6-4-3-5-7-20/h3-11H,2,12-17H2,1H3/p+1