3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: 3-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: 3-(4-tosylpiperazin-1-ium-1-yl)propionamide Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC(=O)N

InChI

InChI=1S/C14H21N3O3S/c1-12-2-4-13(5-3-12)21(19,20)17-10-8-16(9-11-17)7-6-14(15)18/h2-5H,6-11H2,1H3,(H2,15,18)/p+1