1-[(4-methoxyphenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[(4-methoxyphenyl)methyl]-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-[(4-methoxyphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-[(4-methoxyphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-p-anisyl-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C16H21N2O3S2+ MolecularWeight: 353.47954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H20N2O3S2/c1-21-15-6-4-14(5-7-15)13-17-8-10-18(11-9-17)23(19,20)16-3-2-12-22-16/h2-7,12H,8-11,13H2,1H3/p+1