[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]-(2-thienylmethyl)ammonium CAS Name: [2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [2-keto-2-(4-tosylpiperazino)ethyl]-(2-thenyl)ammonium Formula: C18H24N3O3S2+ MolecularWeight: 394.53146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH2+]CC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH2+]CC3=CC=CS3

InChI

InChI=1S/C18H23N3O3S2/c1-15-4-6-17(7-5-15)26(23,24)21-10-8-20(9-11-21)18(22)14-19-13-16-3-2-12-25-16/h2-7,12,19H,8-11,13-14H2,1H3/p+1