2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylamino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylamino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylamino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethylamino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethylamino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylamino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C22H22N5O3+ MolecularWeight: 404.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)CCNC3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)CCNC3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O3/c1-15-14-17(16(2)26(15)18-8-4-3-5-9-18)11-12-23-21-20(27(29)30)22(28)25-13-7-6-10-19(25)24-21/h3-10,13-14H,11-12H2,1-2H3,(H,23,28)/p+1