methyl-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: methyl-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]-methyl-(2-thienylmethyl)ammonium CAS Name: [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(4-besylpiperazino)-2-keto-ethyl]-methyl-(2-thenyl)ammonium Formula: C18H24N3O3S2+ MolecularWeight: 394.53146

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CS1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC=CS1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

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