1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-methylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-methylsulfonyl-piperazin-1-ium Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-methylsulfonyl-piperazin-1-ium CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-methylsulfonylpiperazin-1-ium IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-methylsulfonylpiperazin-1-ium Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-mesyl-piperazin-1-ium Formula: C15H25N2O4S+ MolecularWeight: 329.435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C)OC

InChI

InChI=1S/C15H24N2O4S/c1-4-21-15-11-13(5-6-14(15)20-2)12-16-7-9-17(10-8-16)22(3,18)19/h5-6,11H,4,7-10,12H2,1-3H3/p+1