1-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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: C24H31N5O4 MolecularWeight: 453.53404

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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/h2,4-5,8-9,16-17,19-20H,3,6-7,10-15H2,1H3,(H,25,26,27,28,30)/t20-,24?,29?/m1/s1