ethyl (2R)-1-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoyl]piperidine-2-carboxylate

Systemtic Name: ethyl (2R)-1-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoyl]piperidine-2-carboxylate Openeye Name: ethyl (2R)-1-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]piperidine-2-carboxylate CAS Name: (2R)-1-[2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]pipecolinic acid ethyl ester Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C20H29N3O4/c1-2-27-20(26)17-8-5-6-10-23(17)19(25)15-21-11-13-22(14-12-21)16-7-3-4-9-18(16)24/h3-4,7,9,17,24H,2,5-6,8,10-15H2,1H3/p+1/t17-/m1/s1