[(1R)-2-[[(3R)-1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[[(3R)-1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[[(3R)-1-(2-ethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[[(3R)-1-(2-ethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[[(3R)-1-(2-ethylphenyl)-5-keto-pyrrolidine-3-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)NCC(C3=CSC=C3)[NH+](C)C

Isomeric SMILES

CCC1=CC=CC=C1N2C[C@@H](CC2=O)C(=O)NC[C@@H](C3=CSC=C3)[NH+](C)C

InChI

InChI=1S/C21H27N3O2S/c1-4-15-7-5-6-8-18(15)24-13-17(11-20(24)25)21(26)22-12-19(23(2)3)16-9-10-27-14-16/h5-10,14,17,19H,4,11-13H2,1-3H3,(H,22,26)/p+1/t17-,19+/m1/s1