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

Systemtic Name: ethyl 1-[(4-chloranyl-1-oxidanyl-naphthalen-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-chloro-1-hydroxy-2-naphthyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-chloro-1-hydroxy-2-naphthalenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-chloro-1-hydroxynaphthalen-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(4-chloro-1-hydroxy-2-naphthyl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H23ClNO3+ MolecularWeight: 348.84382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=C(C3=CC=CC=C3C(=C2)Cl)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=C(C3=CC=CC=C3C(=C2)Cl)O

InChI

InChI=1S/C19H22ClNO3/c1-2-24-19(23)13-7-9-21(10-8-13)12-14-11-17(20)15-5-3-4-6-16(15)18(14)22/h3-6,11,13,22H,2,7-10,12H2,1H3/p+1