2-[[4-[(3,5-ditert-butyl-2-oxidanyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[4-[(3,5-ditert-butyl-2-oxidanyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-[(3,5-ditert-butyl-2-hydroxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-(3,5-ditert-butyl-2-hydroxy-benzyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C28H40N4O2+2 MolecularWeight: 464.6428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CN2CC[NH+](CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CN2CC[NH+](CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C28H38N4O2/c1-27(2,3)21-15-20(26(34)23(16-21)28(4,5)6)18-30-11-13-31(14-12-30)19-22-17-25(33)32-10-8-7-9-24(32)29-22/h7-10,15-17,34H,11-14,18-19H2,1-6H3/p+2