[1-methyl-4-(2-methyl-1-morpholin-4-ium-4-ylidene-propan-2-yl)-6,8-dinitro-2-oxidanylidene-4H-quinolin-3-ylidene]-bis(oxidanidyl)azanium

Systemtic Name: [1-methyl-4-(2-methyl-1-morpholin-4-ium-4-ylidene-propan-2-yl)-6,8-dinitro-2-oxidanylidene-4H-quinolin-3-ylidene]-bis(oxidanidyl)azanium Openeye Name: [4-(1,1-dimethyl-2-morpholin-4-ium-4-ylidene-ethyl)-1-methyl-6,8-dinitro-2-oxo-4H-quinolin-3-ylidene]-dioxido-ammonium CAS Name: [1-methyl-4-[2-methyl-1-(4-morpholin-4-iumylidene)propan-2-yl]-6,8-dinitro-2-oxo-4H-quinolin-3-ylidene]-dioxidoammonium IUPAC Name: [1-methyl-4-(2-methyl-1-morpholin-4-ium-4-ylidenepropan-2-yl)-6,8-dinitro-2-oxo-4H-quinolin-3-ylidene]-dioxidoazanium Traditional Name: [4-(1,1-dimethyl-2-morpholin-4-ium-4-ylidene-ethyl)-2-keto-1-methyl-6,8-dinitro-4H-quinolin-3-ylidene]-dioxido-ammonium Formula: C18H21N5O8 MolecularWeight: 435.38804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=[N+]1CCOCC1)C2C3=CC(=CC(=C3N(C(=O)C2=[N+]([O-])[O-])C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C1/C(=[N+](\[O-])/[O-])/C(=O)N(C2=C(C=C(C=C12)[N+](=O)[O-])[N+](=O)[O-])C)(C=[N+]3CCOCC3)C

InChI

InChI=1S/C18H21N5O8/c1-18(2,10-20-4-6-31-7-5-20)14-12-8-11(21(25)26)9-13(22(27)28)15(12)19(3)17(24)16(14)23(29)30/h8-10,14H,4-7H2,1-3H3