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

Systemtic Name: ethyl 4-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(m-tolylmethyl)piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-methylbenzyl)piperidin-1-ium-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3/c1-3-27-21(26)24-13-11-23(12-14-24)20(25)19-7-9-22(10-8-19)16-18-6-4-5-17(2)15-18/h4-6,15,19H,3,7-14,16H2,1-2H3/p+1