ethyl 4-[(3S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(2-fluoro-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(2-fluoro-4-methoxy-benzyl)piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H31FN3O3+ MolecularWeight: 380.476843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=C(C=C(C=C3)OC)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C20H30FN3O3/c1-3-27-20(25)24-11-9-23(10-12-24)17-5-4-8-22(15-17)14-16-6-7-18(26-2)13-19(16)21/h6-7,13,17H,3-5,8-12,14-15H2,1-2H3/p+1/t17-/m0/s1