ethyl 4-[[(2S)-6-[(4-pyrimidin-2-yloxyphenyl)methyl]-6-azoniaspiro[2.5]octan-2-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[(2S)-6-[(4-pyrimidin-2-yloxyphenyl)methyl]-6-azoniaspiro[2.5]octan-2-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2S)-6-[(4-pyrimidin-2-yloxyphenyl)methyl]-6-azoniaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[(2S)-6-[[4-(2-pyrimidinyloxy)phenyl]methyl]-6-azoniaspiro[2.5]octan-2-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-6-[(4-pyrimidin-2-yloxyphenyl)methyl]-6-azoniaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-6-[4-(2-pyrimidyloxy)benzyl]-6-azoniaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H34N5O4+ MolecularWeight: 480.57926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CC23CC[NH+](CC3)CC4=CC=C(C=C4)OC5=NC=CC=N5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H]2CC23CC[NH+](CC3)CC4=CC=C(C=C4)OC5=NC=CC=N5

InChI

InChI=1S/C26H33N5O4/c1-2-34-25(33)31-16-14-30(15-17-31)23(32)22-18-26(22)8-12-29(13-9-26)19-20-4-6-21(7-5-20)35-24-27-10-3-11-28-24/h3-7,10-11,22H,2,8-9,12-19H2,1H3/p+1/t22-/m1/s1