3-nitro-2-[(4-phenylcyclohexyl)amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 3-nitro-2-[(4-phenylcyclohexyl)amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 3-nitro-2-[(4-phenylcyclohexyl)amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 3-nitro-2-[(4-phenylcyclohexyl)amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 3-nitro-2-[(4-phenylcyclohexyl)amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 3-nitro-2-[(4-phenylcyclohexyl)amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H21N4O3+ MolecularWeight: 365.40574

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)NC3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)NC3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3/c25-20-18(24(26)27)19(22-17-8-4-5-13-23(17)20)21-16-11-9-15(10-12-16)14-6-2-1-3-7-14/h1-8,13,15-16H,9-12H2,(H,21,25)/p+1