2-[2-(naphthalen-1-ylamino)ethylamino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[2-(naphthalen-1-ylamino)ethylamino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[2-(1-naphthylamino)ethylamino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[2-(1-naphthalenylamino)ethylamino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[2-(naphthalen-1-ylamino)ethylamino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[2-(1-naphthylamino)ethylamino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H18N5O3+ MolecularWeight: 376.38862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NCCNC3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NCCNC3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O3/c26-20-18(25(27)28)19(23-17-10-3-4-13-24(17)20)22-12-11-21-16-9-5-7-14-6-1-2-8-15(14)16/h1-10,13,21H,11-12H2,(H,22,26)/p+1