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

Systemtic Name: 2-[[(1R)-1,2-diphenylethyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[(1R)-1,2-diphenylethyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(1R)-1,2-diphenylethyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[(1R)-1,2-diphenylethyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(1R)-1,2-diphenylethyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C22H19N4O3+ MolecularWeight: 387.41126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C2=CC=CC=C2)NC3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O3/c27-22-20(26(28)29)21(24-19-13-7-8-14-25(19)22)23-18(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-14,18H,15H2,(H,23,27)/p+1/t18-/m1/s1