[(3R)-1-methyl-1-[2-oxidanylidene-2-(1,3,5-triazin-2-ylamino)ethyl]pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(3R)-1-methyl-1-[2-oxidanylidene-2-(1,3,5-triazin-2-ylamino)ethyl]pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(3R)-1-methyl-1-[2-oxo-2-(1,3,5-triazin-2-ylamino)ethyl]pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid [(3R)-1-methyl-1-[2-oxo-2-(1,3,5-triazin-2-ylamino)ethyl]-3-pyrrolidin-1-iumyl] ester IUPAC Name: [(3R)-1-methyl-1-[2-oxo-2-(1,3,5-triazin-2-ylamino)ethyl]pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid [(3R)-1-[2-keto-2-(s-triazin-2-ylamino)ethyl]-1-methyl-pyrrolidin-1-ium-3-yl] ester Formula: C24H32N5O4+ MolecularWeight: 454.54198

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)CC(=O)NC4=NC=NC=N4

Isomeric SMILES

C[N+]1(CC[C@H](C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)CC(=O)NC4=NC=NC=N4

InChI

InChI=1S/C24H31N5O4/c1-29(15-21(30)28-23-26-16-25-17-27-23)13-12-20(14-29)33-22(31)24(32,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2,4-5,8-9,16-17,19-20,32H,3,6-7,10-15H2,1H3/p+1/t20-,24?,29?/m1/s1