ethyl 4-[[4-[[(3S)-1-pyridin-2-ylcarbonylpiperidin-3-yl]methoxy]phenyl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[4-[[(3S)-1-pyridin-2-ylcarbonylpiperidin-3-yl]methoxy]phenyl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[4-[[(3S)-1-(pyridine-2-carbonyl)-3-piperidyl]methoxy]phenyl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[4-[[(3S)-1-[oxo(2-pyridinyl)methyl]-3-piperidinyl]methoxy]phenyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[[(3S)-1-(pyridine-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[4-[[(3S)-1-picolinoyl-3-piperidyl]methoxy]benzyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C26H35N4O4+ MolecularWeight: 467.5805

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)OCC3CCCN(C3)C(=O)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)OC[C@H]3CCCN(C3)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C26H34N4O4/c1-2-33-26(32)29-16-14-28(15-17-29)18-21-8-10-23(11-9-21)34-20-22-6-5-13-30(19-22)25(31)24-7-3-4-12-27-24/h3-4,7-12,22H,2,5-6,13-20H2,1H3/p+1/t22-/m0/s1