2-[4-(3-methylphenyl)carbonylpiperazin-1-yl]sulfonylethylazanium

Systemtic Name: 2-[4-(3-methylphenyl)carbonylpiperazin-1-yl]sulfonylethylazanium Openeye Name: 2-[4-(3-methylbenzoyl)piperazin-1-yl]sulfonylethylammonium CAS Name: 2-[[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]ethylammonium IUPAC Name: 2-[4-(3-methylbenzoyl)piperazin-1-yl]sulfonylethylazanium Traditional Name: 2-(4-m-toluoylpiperazino)sulfonylethylammonium Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC[NH3+]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC[NH3+]

InChI

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