4-ethyl-2-methyl-8-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione

Systemtic Name: 4-ethyl-2-methyl-8-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 4-ethyl-2-methyl-8-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 4-ethyl-2-methyl-8-[[4-(2-pyrimidinyloxy)phenyl]methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 4-ethyl-2-methyl-8-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 4-ethyl-2-methyl-8-[4-(2-pyrimidyloxy)benzyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C21H26N5O3+ MolecularWeight: 396.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)N(C(=O)C12CC[NH+](CC2)CC3=CC=C(C=C3)OC4=NC=CC=N4)C

Isomeric SMILES

CCN1C(=O)N(C(=O)C12CC[NH+](CC2)CC3=CC=C(C=C3)OC4=NC=CC=N4)C

InChI

InChI=1S/C21H25N5O3/c1-3-26-20(28)24(2)18(27)21(26)9-13-25(14-10-21)15-16-5-7-17(8-6-16)29-19-22-11-4-12-23-19/h4-8,11-12H,3,9-10,13-15H2,1-2H3/p+1