5-(1-methylpiperazin-1-ium-1-yl)sulfonyl-2-propoxy-benzoic acid

Systemtic Name: 5-(1-methylpiperazin-1-ium-1-yl)sulfonyl-2-propoxy-benzoic acid Openeye Name: 5-(1-methylpiperazin-1-ium-1-yl)sulfonyl-2-propoxy-benzoic acid CAS Name: 5-[(1-methyl-1-piperazin-1-iumyl)sulfonyl]-2-propoxybenzoic acid IUPAC Name: 5-(1-methylpiperazin-1-ium-1-yl)sulfonyl-2-propoxybenzoic acid Traditional Name: 5-(1-methylpiperazin-1-ium-1-yl)sulfonyl-2-propoxy-benzoic acid Formula: C15H23N2O5S+ MolecularWeight: 343.41852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)[N+]2(CCNCC2)C)C(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)[N+]2(CCNCC2)C)C(=O)O

InChI

InChI=1S/C15H22N2O5S/c1-3-10-22-14-5-4-12(11-13(14)15(18)19)23(20,21)17(2)8-6-16-7-9-17/h4-5,11,16H,3,6-10H2,1-2H3/p+1