[2-(dimethylamino)-5-nitro-phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(dimethylamino)-5-nitro-phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: [2-(dimethylamino)-5-nitro-phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: [2-(dimethylamino)-5-nitrophenyl]-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [2-(dimethylamino)-5-nitrophenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: [2-(dimethylamino)-5-nitro-phenyl]-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C18H22N5O3+ MolecularWeight: 356.39898

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C18H21N5O3/c1-20(2)17-4-3-15(23(25)26)13-16(17)18(24)22-11-9-21(10-12-22)14-5-7-19-8-6-14/h3-8,13H,9-12H2,1-2H3/p+1