ethyl 1-[(2-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2-chloro-4-hydroxy-5-methoxy-phenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(2-chloro-4-hydroxy-5-methoxy-benzyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H31ClNO5+ MolecularWeight: 448.95964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=C(C=C2Cl)O)OC)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=C(C=C2Cl)O)OC)CCOC3=CC=CC=C3

InChI

InChI=1S/C24H30ClNO5/c1-3-30-23(28)24(11-14-31-19-7-5-4-6-8-19)9-12-26(13-10-24)17-18-15-22(29-2)21(27)16-20(18)25/h4-8,15-16,27H,3,9-14,17H2,1-2H3/p+1