ethyl (3S)-1-[(3-ethanoylphenyl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(3-ethanoylphenyl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(3-acetylphenyl)methyl]-3-benzyl-piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(3-acetylphenyl)methyl]-3-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3-acetylphenyl)methyl]-3-benzylpiperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(3-acetylbenzyl)-3-benzyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C24H30NO3+ MolecularWeight: 380.4999

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC=CC(=C2)C(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CC=CC(=C2)C(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C24H29NO3/c1-3-28-23(27)24(16-20-9-5-4-6-10-20)13-8-14-25(18-24)17-21-11-7-12-22(15-21)19(2)26/h4-7,9-12,15H,3,8,13-14,16-18H2,1-2H3/p+1/t24-/m0/s1