tert-butyl 4-[(7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H24ClN4O3+ MolecularWeight: 379.86116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C18H23ClN4O3/c1-18(2,3)26-17(25)22-8-6-21(7-9-22)12-14-10-16(24)23-11-13(19)4-5-15(23)20-14/h4-5,10-11H,6-9,12H2,1-3H3/p+1