ethyl (3S)-1-[(3-methoxycarbonyl-2-oxidanyl-naphthalen-1-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(3-methoxycarbonyl-2-oxidanyl-naphthalen-1-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(2-hydroxy-3-methoxycarbonyl-1-naphthyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2-hydroxy-3-methoxycarbonyl-1-naphthalenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(3-carbomethoxy-2-hydroxy-1-naphthyl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H26NO5+ MolecularWeight: 372.43484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=C(C(=CC3=CC=CC=C32)C(=O)OC)O

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=C(C(=CC3=CC=CC=C32)C(=O)OC)O

InChI

InChI=1S/C21H25NO5/c1-3-27-20(24)15-8-6-10-22(12-15)13-18-16-9-5-4-7-14(16)11-17(19(18)23)21(25)26-2/h4-5,7,9,11,15,23H,3,6,8,10,12-13H2,1-2H3/p+1/t15-/m0/s1