methyl 1-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(6-bromo-2-hydroxy-1-naphthalenyl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H21BrNO3+ MolecularWeight: 379.26824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC2=C(C=CC3=C2C=CC(=C3)Br)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC2=C(C=CC3=C2C=CC(=C3)Br)O

InChI

InChI=1S/C18H20BrNO3/c1-23-18(22)12-6-8-20(9-7-12)11-16-15-4-3-14(19)10-13(15)2-5-17(16)21/h2-5,10,12,21H,6-9,11H2,1H3/p+1