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

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) (2R,3S)-3-methyl-2-phenyl-pentanoate Openeye Name: (1-methylpiperidin-1-ium-4-yl) (2R,3S)-3-methyl-2-phenyl-pentanoate CAS Name: (2R,3S)-3-methyl-2-phenylpentanoic acid (1-methyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-methylpiperidin-1-ium-4-yl) (2R,3S)-3-methyl-2-phenylpentanoate Traditional Name: (2R,3S)-3-methyl-2-phenyl-valeric acid (1-methylpiperidin-1-ium-4-yl) ester Formula: C18H28NO2+ MolecularWeight: 290.42042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OC2CC[NH+](CC2)C

Isomeric SMILES

CC[C@H](C)[C@H](C1=CC=CC=C1)C(=O)OC2CC[NH+](CC2)C

InChI

InChI=1S/C18H27NO2/c1-4-14(2)17(15-8-6-5-7-9-15)18(20)21-16-10-12-19(3)13-11-16/h5-9,14,16-17H,4,10-13H2,1-3H3/p+1/t14-,17+/m0/s1