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

Systemtic Name: ethyl 4-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[(3-chlorophenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-chlorobenzyl)piperidin-1-ium-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H29ClN3O3+ MolecularWeight: 394.91556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN3O3/c1-2-27-20(26)24-12-10-23(11-13-24)19(25)17-6-8-22(9-7-17)15-16-4-3-5-18(21)14-16/h3-5,14,17H,2,6-13,15H2,1H3/p+1