methyl 2-[(2R,6S)-6-methylpiperidin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R,6S)-6-methylpiperidin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2R,6S)-6-methylpiperidin-1-ium-2-yl]acetate CAS Name: 2-[(2R,6S)-6-methyl-2-piperidin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R,6S)-6-methylpiperidin-1-ium-2-yl]acetate Traditional Name: 2-[(2R,6S)-6-methylpiperidin-1-ium-2-yl]acetic acid methyl ester Formula: C9H18NO2+ MolecularWeight: 172.24472

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH2+]1)CC(=O)OC

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH2+]1)CC(=O)OC

InChI

InChI=1S/C9H17NO2/c1-7-4-3-5-8(10-7)6-9(11)12-2/h7-8,10H,3-6H2,1-2H3/p+1/t7-,8+/m0/s1