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

Systemtic Name: 4-methyl-2-propan-2-yl-8-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 2-isopropyl-4-methyl-8-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 4-methyl-2-propan-2-yl-8-[[4-(2-pyrimidinyloxy)phenyl]methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 4-methyl-2-propan-2-yl-8-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 2-isopropyl-4-methyl-8-[4-(2-pyrimidyloxy)benzyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2(CC[NH+](CC2)CC3=CC=C(C=C3)OC4=NC=CC=N4)N(C1=O)C

Isomeric SMILES

CC(C)N1C(=O)C2(CC[NH+](CC2)CC3=CC=C(C=C3)OC4=NC=CC=N4)N(C1=O)C

InChI

InChI=1S/C22H27N5O3/c1-16(2)27-19(28)22(25(3)21(27)29)9-13-26(14-10-22)15-17-5-7-18(8-6-17)30-20-23-11-4-12-24-20/h4-8,11-12,16H,9-10,13-15H2,1-3H3/p+1