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

Systemtic Name: dimethyl-[(1R)-2-[[(3R)-5-oxidanylidene-1-(3-propan-2-ylphenyl)pyrrolidin-3-yl]carbonylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: [(1R)-2-[[(3R)-1-(3-isopropylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1R)-2-[[oxo-[(3R)-5-oxo-1-(3-propan-2-ylphenyl)-3-pyrrolidinyl]methyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[[(3R)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carbonyl]amino]-1-thiophen-3-ylethyl]azanium Traditional Name: [(1R)-2-[[(3R)-5-keto-1-m-cumenyl-pyrrolidine-3-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)N2CC(CC2=O)C(=O)NCC(C3=CSC=C3)[NH+](C)C

Isomeric SMILES

CC(C)C1=CC(=CC=C1)N2C[C@@H](CC2=O)C(=O)NC[C@@H](C3=CSC=C3)[NH+](C)C

InChI

InChI=1S/C22H29N3O2S/c1-15(2)16-6-5-7-19(10-16)25-13-18(11-21(25)26)22(27)23-12-20(24(3)4)17-8-9-28-14-17/h5-10,14-15,18,20H,11-13H2,1-4H3,(H,23,27)/p+1/t18-,20+/m1/s1