ethyl 4-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(3-benzyloxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[1-[(3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-benzoxybenzyl)piperidin-1-ium-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H36N3O4+ MolecularWeight: 466.59244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O4/c1-2-33-27(32)30-17-15-29(16-18-30)26(31)24-11-13-28(14-12-24)20-23-9-6-10-25(19-23)34-21-22-7-4-3-5-8-22/h3-10,19,24H,2,11-18,20-21H2,1H3/p+1