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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CS1)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC=CS1)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O3S2/c1-20(14-18-8-5-13-26-18)15-19(23)21-9-11-22(12-10-21)27(24,25)16-17-6-3-2-4-7-17/h2-8,13H,9-12,14-16H2,1H3/p+1