ethyl (2R,3S)-4-methyl-2-phenyl-3-piperidin-1-ium-1-yl-pentanoate

Systemtic Name: ethyl (2R,3S)-4-methyl-2-phenyl-3-piperidin-1-ium-1-yl-pentanoate Openeye Name: ethyl (2R,3S)-4-methyl-2-phenyl-3-piperidin-1-ium-1-yl-pentanoate CAS Name: (2R,3S)-4-methyl-2-phenyl-3-(1-piperidin-1-iumyl)pentanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-4-methyl-2-phenyl-3-piperidin-1-ium-1-ylpentanoate Traditional Name: (2R,3S)-4-methyl-2-phenyl-3-piperidin-1-ium-1-yl-valeric acid ethyl ester Formula: C19H30NO2+ MolecularWeight: 304.447

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)C(C(C)C)[NH+]2CCCCC2

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)[C@H](C(C)C)[NH+]2CCCCC2

InChI

InChI=1S/C19H29NO2/c1-4-22-19(21)17(16-11-7-5-8-12-16)18(15(2)3)20-13-9-6-10-14-20/h5,7-8,11-12,15,17-18H,4,6,9-10,13-14H2,1-3H3/p+1/t17-,18+/m1/s1