methyl (1S)-4-methyl-3-oxidanylidene-8-[(4-pyrimidin-2-yloxyphenyl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-4-methyl-3-oxidanylidene-8-[(4-pyrimidin-2-yloxyphenyl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-methyl-3-oxo-8-[(4-pyrimidin-2-yloxyphenyl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-4-methyl-3-oxo-8-[[4-(2-pyrimidinyloxy)phenyl]methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-4-methyl-3-oxo-8-[(4-pyrimidin-2-yloxyphenyl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-3-keto-4-methyl-8-[4-(2-pyrimidyloxy)benzyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C12CC[NH+](CC2)CC3=CC=C(C=C3)OC4=NC=CC=N4)C(=O)OC

Isomeric SMILES

CN1C(=O)C[C@@H](C12CC[NH+](CC2)CC3=CC=C(C=C3)OC4=NC=CC=N4)C(=O)OC

InChI

InChI=1S/C22H26N4O4/c1-25-19(27)14-18(20(28)29-2)22(25)8-12-26(13-9-22)15-16-4-6-17(7-5-16)30-21-23-10-3-11-24-21/h3-7,10-11,18H,8-9,12-15H2,1-2H3/p+1/t18-/m1/s1