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

Systemtic Name: 1-cyclopentyl-2-[(3R)-1-methyl-1-[2-oxidanylidene-2-(1,3,5-triazin-2-ylamino)ethyl]pyrrolidin-1-ium-3-yl]oxy-2-oxidanylidene-1-phenyl-ethanolate Openeye Name: 1-cyclopentyl-2-[(3R)-1-methyl-1-[2-oxo-2-(1,3,5-triazin-2-ylamino)ethyl]pyrrolidin-1-ium-3-yl]oxy-2-oxo-1-phenyl-ethanolate CAS Name: 1-cyclopentyl-2-[[(3R)-1-methyl-1-[2-oxo-2-(1,3,5-triazin-2-ylamino)ethyl]-3-pyrrolidin-1-iumyl]oxy]-2-oxo-1-phenylethanolate IUPAC Name: 1-cyclopentyl-2-[(3R)-1-methyl-1-[2-oxo-2-(1,3,5-triazin-2-ylamino)ethyl]pyrrolidin-1-ium-3-yl]oxy-2-oxo-1-phenylethanolate Traditional Name: 1-cyclopentyl-2-keto-2-[(3R)-1-[2-keto-2-(s-triazin-2-ylamino)ethyl]-1-methyl-pyrrolidin-1-ium-3-yl]oxy-1-phenyl-ethanolate Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)[O-])CC(=O)NC4=NC=NC=N4

Isomeric SMILES

C[N+]1(CC[C@H](C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)[O-])CC(=O)NC4=NC=NC=N4

InChI

InChI=1S/C23H29N5O4/c1-28(14-20(29)27-22-25-15-24-16-26-22)12-11-19(13-28)32-21(30)23(31,18-9-5-6-10-18)17-7-3-2-4-8-17/h2-4,7-8,15-16,18-19H,5-6,9-14H2,1H3,(H,24,25,26,27,29)/t19-,23?,28?/m1/s1