ethyl 4-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[(2-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(2-ethoxybenzyl)piperidin-1-ium-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H34N3O4+ MolecularWeight: 404.52306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C22H33N3O4/c1-3-28-20-8-6-5-7-19(20)17-23-11-9-18(10-12-23)21(26)24-13-15-25(16-14-24)22(27)29-4-2/h5-8,18H,3-4,9-17H2,1-2H3/p+1