ethyl 4-(cyclopropylmethyl)-1-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(cyclopropylmethyl)-1-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(cyclopropylmethyl)-1-[(4-fluoro-3-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-(cyclopropylmethyl)-1-[(4-fluoro-3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclopropylmethyl)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(cyclopropylmethyl)-1-(4-fluoro-3-methoxy-benzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H29FNO3+ MolecularWeight: 350.447563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=C(C=C2)F)OC)CC3CC3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=C(C=C2)F)OC)CC3CC3

InChI

InChI=1S/C20H28FNO3/c1-3-25-19(23)20(13-15-4-5-15)8-10-22(11-9-20)14-16-6-7-17(21)18(12-16)24-2/h6-7,12,15H,3-5,8-11,13-14H2,1-2H3/p+1