2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenoxy]ethanal

Systemtic Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenoxy]ethanal Openeye Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenoxy]acetaldehyde CAS Name: 2-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenoxy]acetaldehyde IUPAC Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenoxy]acetaldehyde Traditional Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenoxy]acetaldehyde Formula: C13H19N2O4S+ MolecularWeight: 299.36596

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC=O

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC=O

InChI

InChI=1S/C13H18N2O4S/c1-14-6-8-15(9-7-14)20(17,18)13-4-2-12(3-5-13)19-11-10-16/h2-5,10H,6-9,11H2,1H3/p+1