ethyl (2R,3S)-3-(4-methylphenyl)-3-morpholin-4-ium-4-yl-2-(phenylmethyl)propanoate

Systemtic Name: ethyl (2R,3S)-3-(4-methylphenyl)-3-morpholin-4-ium-4-yl-2-(phenylmethyl)propanoate Openeye Name: ethyl (2R,3S)-2-benzyl-3-morpholin-4-ium-4-yl-3-(p-tolyl)propanoate CAS Name: (2R,3S)-3-(4-methylphenyl)-3-(4-morpholin-4-iumyl)-2-(phenylmethyl)propanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-2-benzyl-3-(4-methylphenyl)-3-morpholin-4-ium-4-ylpropanoate Traditional Name: (2R,3S)-2-benzyl-3-morpholin-4-ium-4-yl-3-(p-tolyl)propionic acid ethyl ester Formula: C23H30NO3+ MolecularWeight: 368.4892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)C(C2=CC=C(C=C2)C)[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)[C@@H](C2=CC=C(C=C2)C)[NH+]3CCOCC3

InChI

InChI=1S/C23H29NO3/c1-3-27-23(25)21(17-19-7-5-4-6-8-19)22(24-13-15-26-16-14-24)20-11-9-18(2)10-12-20/h4-12,21-22H,3,13-17H2,1-2H3/p+1/t21-,22-/m1/s1