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

Systemtic Name: tert-butyl 4-[4-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[4-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-1-piperazinyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 4-[4-[(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H34N5O4+ MolecularWeight: 456.55786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCN(CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCN(CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C24H33N5O4/c1-24(2,3)33-23(32)28-10-7-18(8-11-28)22(31)27-14-12-26(13-15-27)17-19-16-21(30)29-9-5-4-6-20(29)25-19/h4-6,9,16,18H,7-8,10-15,17H2,1-3H3/p+1