ethyl 4,6-diphenyl-1-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-2-carboxylate

Systemtic Name: ethyl 4,6-diphenyl-1-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-2-carboxylate Openeye Name: ethyl 4,6-diphenyl-1-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-2-carboxylate CAS Name: 4,6-diphenyl-1-[[(1R)-1-phenylethyl]amino]-2-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4,6-diphenyl-1-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-2-carboxylate Traditional Name: 4,6-diphenyl-1-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-2-carboxylic acid ethyl ester Formula: C28H27N2O2+ MolecularWeight: 423.52618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=[N+]1NC(C)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=[N+]1N[C@H](C)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H26N2O2/c1-3-32-28(31)27-20-25(23-15-9-5-10-16-23)19-26(24-17-11-6-12-18-24)30(27)29-21(2)22-13-7-4-8-14-22/h4-21H,3H2,1-2H3/p+1/t21-/m1/s1