ethyl 4-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H34N3O3+ MolecularWeight: 388.52366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O3/c1-2-28-22(27)25-14-10-20(11-15-25)23-21(26)17-24-12-8-19(9-13-24)16-18-6-4-3-5-7-18/h3-7,19-20H,2,8-17H2,1H3,(H,23,26)/p+1