methyl (2S,3S)-4-methyl-3-morpholin-4-ium-4-yl-2-naphthalen-2-yl-pentanoate

Systemtic Name: methyl (2S,3S)-4-methyl-3-morpholin-4-ium-4-yl-2-naphthalen-2-yl-pentanoate Openeye Name: methyl (2S,3S)-4-methyl-3-morpholin-4-ium-4-yl-2-(2-naphthyl)pentanoate CAS Name: (2S,3S)-4-methyl-3-(4-morpholin-4-iumyl)-2-(2-naphthalenyl)pentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-4-methyl-3-morpholin-4-ium-4-yl-2-naphthalen-2-ylpentanoate Traditional Name: (2S,3S)-4-methyl-3-morpholin-4-ium-4-yl-2-(2-naphthyl)valeric acid methyl ester Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C1=CC2=CC=CC=C2C=C1)C(=O)OC)[NH+]3CCOCC3

Isomeric SMILES

CC(C)[C@@H]([C@H](C1=CC2=CC=CC=C2C=C1)C(=O)OC)[NH+]3CCOCC3

InChI

InChI=1S/C21H27NO3/c1-15(2)20(22-10-12-25-13-11-22)19(21(23)24-3)18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15,19-20H,10-13H2,1-3H3/p+1/t19-,20-/m0/s1