dimethyl-[[2-[[[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylphenyl]carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylphenyl]carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoyl]amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[[oxo-[2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]phenyl]methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]methyl]phenyl]methyl]azanium Traditional Name: [2-[[[2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

InChI

InChI=1S/C23H29N3O2S/c1-25(2)16-19-10-4-3-9-18(19)15-24-23(28)20-11-5-6-12-21(20)29-17-22(27)26-13-7-8-14-26/h3-6,9-12H,7-8,13-17H2,1-2H3,(H,24,28)/p+1