methyl (3S,4S)-1,4-dimethyl-4-phenoxycarbonyloxy-piperidin-1-ium-3-carboxylate

Systemtic Name: methyl (3S,4S)-1,4-dimethyl-4-phenoxycarbonyloxy-piperidin-1-ium-3-carboxylate Openeye Name: methyl (3S,4S)-1,4-dimethyl-4-phenoxycarbonyloxy-piperidin-1-ium-3-carboxylate CAS Name: (3S,4S)-1,4-dimethyl-4-[oxo(phenoxy)methoxy]-3-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-1,4-dimethyl-4-phenoxycarbonyloxypiperidin-1-ium-3-carboxylate Traditional Name: (3S,4S)-4-carbophenoxyoxy-1,4-dimethyl-piperidin-1-ium-3-carboxylic acid methyl ester Formula: C16H22NO5+ MolecularWeight: 308.34958

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC[NH+](CC1C(=O)OC)C)OC(=O)OC2=CC=CC=C2

Isomeric SMILES

C[C@@]1(CC[NH+](C[C@@H]1C(=O)OC)C)OC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C16H21NO5/c1-16(9-10-17(2)11-13(16)14(18)20-3)22-15(19)21-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/p+1/t13-,16+/m1/s1