3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenoxy]propanal

Systemtic Name: 3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenoxy]propanal Openeye Name: 3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenoxy]propanal CAS Name: 3-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenoxy]propanal IUPAC Name: 3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenoxy]propanal Traditional Name: 3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenoxy]propionaldehyde Formula: C14H21N2O4S+ MolecularWeight: 313.39254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-15-7-9-16(10-8-15)21(18,19)14-5-3-13(4-6-14)20-12-2-11-17/h3-6,11H,2,7-10,12H2,1H3/p+1