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

Systemtic Name: ethyl 1-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H23BrNO3+ MolecularWeight: 393.29482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrNO3/c1-2-24-19(23)13-7-9-21(10-8-13)12-17-16-5-4-15(20)11-14(16)3-6-18(17)22/h3-6,11,13,22H,2,7-10,12H2,1H3/p+1