ethyl 4-[1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[(2-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-(1-salicylpiperidin-1-ium-4-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=CC=C3O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=CC=C3O

InChI

InChI=1S/C20H29N3O4/c1-2-27-20(26)23-13-11-22(12-14-23)19(25)16-7-9-21(10-8-16)15-17-5-3-4-6-18(17)24/h3-6,16,24H,2,7-15H2,1H3/p+1