(8-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(4-tert-butylphenyl)cyclopentane-1-carboxylate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(4-tert-butylphenyl)cyclopentane-1-carboxylate Openeye Name: (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(4-tert-butylphenyl)cyclopentanecarboxylate CAS Name: 1-(4-tert-butylphenyl)-1-cyclopentanecarboxylic acid (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(4-tert-butylphenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-tert-butylphenyl)cyclopentanecarboxylic acid (4-keto-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)COC(=O)C3(CCCC3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)COC(=O)C3(CCCC3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H30N2O3/c1-18-11-14-28-22(15-18)27-21(16-23(28)29)17-31-24(30)26(12-5-6-13-26)20-9-7-19(8-10-20)25(2,3)4/h7-11,14-16H,5-6,12-13,17H2,1-4H3/p+1