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

Systemtic Name: ethyl 4-[1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(2-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[(2-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(2-hydroxy-3-methoxy-benzyl)piperidin-1-ium-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H32N3O5+ MolecularWeight: 406.49588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=C(C(=CC=C3)OC)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=C(C(=CC=C3)OC)O

InChI

InChI=1S/C21H31N3O5/c1-3-29-21(27)24-13-11-23(12-14-24)20(26)16-7-9-22(10-8-16)15-17-5-4-6-18(28-2)19(17)25/h4-6,16,25H,3,7-15H2,1-2H3/p+1