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

Systemtic Name: ethyl 4-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(3-phenylpropyl)piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(3-phenylpropyl)piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-phenylpropyl)piperidin-1-ium-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H34N3O3+ MolecularWeight: 388.52366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CC[NH+](CC2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CC[NH+](CC2)CCCC3=CC=CC=C3

InChI

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