3-nitro-2-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 3-nitro-2-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[(1S)-1-(4-isopropylphenyl)ethyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 3-nitro-2-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 3-nitro-2-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 3-nitro-2-[[(1S)-1-p-cumenylethyl]amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C19H21N4O3+ MolecularWeight: 353.39504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C)NC2=C(C(=O)[N+]3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C(C)C)NC2=C(C(=O)[N+]3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O3/c1-12(2)14-7-9-15(10-8-14)13(3)20-18-17(23(25)26)19(24)22-11-5-4-6-16(22)21-18/h4-13H,1-3H3,(H,20,24)/p+1/t13-/m0/s1