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

Systemtic Name: ethyl 4-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[(4-ethylphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(4-ethylbenzyl)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:

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C22H33N3O3/c1-3-18-5-7-19(8-6-18)17-23-11-9-20(10-12-23)21(26)24-13-15-25(16-14-24)22(27)28-4-2/h5-8,20H,3-4,9-17H2,1-2H3/p+1