1-cyclopentyl-2-[(3R)-1-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]pyrrolidin-1-ium-3-yl]oxy-2-oxidanylidene-1-phenyl-ethanolate

Systemtic Name: 1-cyclopentyl-2-[(3R)-1-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]pyrrolidin-1-ium-3-yl]oxy-2-oxidanylidene-1-phenyl-ethanolate Openeye Name: 1-cyclopentyl-2-[(3R)-1-methyl-1-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]pyrrolidin-1-ium-3-yl]oxy-2-oxo-1-phenyl-ethanolate CAS Name: 1-cyclopentyl-2-[[(3R)-1-methyl-1-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-3-pyrrolidin-1-iumyl]oxy]-2-oxo-1-phenylethanolate IUPAC Name: 1-cyclopentyl-2-[(3R)-1-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidin-1-ium-3-yl]oxy-2-oxo-1-phenylethanolate Traditional Name: 1-cyclopentyl-2-keto-2-[(3R)-1-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-1-methyl-pyrrolidin-1-ium-3-yl]oxy-1-phenyl-ethanolate Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[N+]2(CCC(C2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)[O-])C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[N+]2(CC[C@H](C2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)[O-])C

InChI

InChI=1S/C24H31N3O5/c1-17-14-21(26-32-17)25-22(28)16-27(2)13-12-20(15-27)31-23(29)24(30,19-10-6-7-11-19)18-8-4-3-5-9-18/h3-5,8-9,14,19-20H,6-7,10-13,15-16H2,1-2H3,(H,25,26,28)/t20-,24?,27?/m1/s1