ethyl 4-[(3S)-1-[(5-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(5-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(2-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(2-hydroxy-5-methoxy-benzyl)piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H32N3O4+ MolecularWeight: 378.48578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4/c1-3-27-20(25)23-11-9-22(10-12-23)17-5-4-8-21(15-17)14-16-13-18(26-2)6-7-19(16)24/h6-7,13,17,24H,3-5,8-12,14-15H2,1-2H3/p+1/t17-/m0/s1