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

Systemtic Name: methyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: methyl-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]-(2-thienylmethyl)ammonium CAS Name: methyl-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: methyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [2-keto-2-(4-tosylpiperazino)ethyl]-methyl-(2-thenyl)ammonium Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S2/c1-16-5-7-18(8-6-16)27(24,25)22-11-9-21(10-12-22)19(23)15-20(2)14-17-4-3-13-26-17/h3-8,13H,9-12,14-15H2,1-2H3/p+1