1-[(2-ethoxyphenyl)methyl]-4-ethylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-ethoxyphenyl)methyl]-4-ethylsulfonyl-piperazin-1-ium Openeye Name: 1-[(2-ethoxyphenyl)methyl]-4-ethylsulfonyl-piperazin-1-ium CAS Name: 1-[(2-ethoxyphenyl)methyl]-4-ethylsulfonylpiperazin-1-ium IUPAC Name: 1-[(2-ethoxyphenyl)methyl]-4-ethylsulfonylpiperazin-1-ium Traditional Name: 1-esyl-4-(2-ethoxybenzyl)piperazin-4-ium Formula: C15H25N2O3S+ MolecularWeight: 313.4356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)CC

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)CC

InChI

InChI=1S/C15H24N2O3S/c1-3-20-15-8-6-5-7-14(15)13-16-9-11-17(12-10-16)21(18,19)4-2/h5-8H,3-4,9-13H2,1-2H3/p+1