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

Systemtic Name: [(1R)-1-methyl-1-[2-oxidanylidene-2-(1,3,5-triazin-2-ylamino)ethyl]piperidin-1-ium-3-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-methyl-1-[2-oxo-2-(1,3,5-triazin-2-ylamino)ethyl]piperidin-1-ium-3-yl] 2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid [(1R)-1-methyl-1-[2-oxo-2-(1,3,5-triazin-2-ylamino)ethyl]-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-[2-oxo-2-(1,3,5-triazin-2-ylamino)ethyl]piperidin-1-ium-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid [(1R)-1-[2-keto-2-(s-triazin-2-ylamino)ethyl]-1-methyl-piperidin-1-ium-3-yl] ester Formula: C25H34N5O4+ MolecularWeight: 468.56856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N5O4/c1-30(16-22(31)29-24-27-17-26-18-28-24)14-8-13-21(15-30)34-23(32)25(33,19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2,4-5,9-10,17-18,20-21,33H,3,6-8,11-16H2,1H3/p+1/t21?,25?,30-/m1/s1