ethyl 4-[1-[4-[2-oxidanylidene-2-(4-oxidanylpiperidin-1-yl)ethyl]phenyl]piperidin-4-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[1-[4-[2-oxidanylidene-2-(4-oxidanylpiperidin-1-yl)ethyl]phenyl]piperidin-4-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[1-[4-[2-(4-hydroxy-1-piperidyl)-2-oxo-ethyl]phenyl]-4-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[1-[4-[2-(4-hydroxy-1-piperidinyl)-2-oxoethyl]phenyl]-4-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]piperidin-4-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[1-[4-[2-(4-hydroxypiperidino)-2-keto-ethyl]phenyl]-4-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C25H39N4O4+ MolecularWeight: 459.60156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCN(CC2)C3=CC=C(C=C3)CC(=O)N4CCC(CC4)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C2CCN(CC2)C3=CC=C(C=C3)CC(=O)N4CCC(CC4)O

InChI

InChI=1S/C25H38N4O4/c1-2-33-25(32)29-17-15-27(16-18-29)22-7-11-26(12-8-22)21-5-3-20(4-6-21)19-24(31)28-13-9-23(30)10-14-28/h3-6,22-23,30H,2,7-19H2,1H3/p+1