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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

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