ethyl (3S)-1-[(7-methoxy-2-oxidanyl-naphthalen-1-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(7-methoxy-2-oxidanyl-naphthalen-1-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(2-hydroxy-7-methoxy-1-naphthyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2-hydroxy-7-methoxy-1-naphthalenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(2-hydroxy-7-methoxy-1-naphthyl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H26NO4+ MolecularWeight: 344.42474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=C(C=CC3=C2C=C(C=C3)OC)O

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=C(C=CC3=C2C=C(C=C3)OC)O

InChI

InChI=1S/C20H25NO4/c1-3-25-20(23)15-5-4-10-21(12-15)13-18-17-11-16(24-2)8-6-14(17)7-9-19(18)22/h6-9,11,15,22H,3-5,10,12-13H2,1-2H3/p+1/t15-/m0/s1