2-[4-(2-methylphenyl)carbonylpiperazin-1-yl]sulfonylethylazanium

Systemtic Name: 2-[4-(2-methylphenyl)carbonylpiperazin-1-yl]sulfonylethylazanium Openeye Name: 2-[4-(2-methylbenzoyl)piperazin-1-yl]sulfonylethylammonium CAS Name: 2-[[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]ethylammonium IUPAC Name: 2-[4-(2-methylbenzoyl)piperazin-1-yl]sulfonylethylazanium Traditional Name: 2-(4-o-toluoylpiperazino)sulfonylethylammonium Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)CC[NH3+]

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)CC[NH3+]

InChI

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