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

Systemtic Name: 1-[(2-ethoxyphenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[(2-ethoxyphenyl)methyl]-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-[(2-ethoxyphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-[(2-ethoxyphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-(2-ethoxybenzyl)-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C17H23N2O3S2+ MolecularWeight: 367.50612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H22N2O3S2/c1-2-22-16-7-4-3-6-15(16)14-18-9-11-19(12-10-18)24(20,21)17-8-5-13-23-17/h3-8,13H,2,9-12,14H2,1H3/p+1