methyl 3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]propanoate

Systemtic Name: methyl 3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]propanoate Openeye Name: methyl 3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]propanoate CAS Name: 3-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-1-piperazinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]propanoate Traditional Name: 3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazino]propionic acid methyl ester Formula: C13H27N4O4S+ MolecularWeight: 335.44288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)N2CCN(CC2)CCC(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)N2CCN(CC2)CCC(=O)OC

InChI

InChI=1S/C13H26N4O4S/c1-14-5-9-16(10-6-14)22(19,20)17-11-7-15(8-12-17)4-3-13(18)21-2/h3-12H2,1-2H3/p+1