4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-quinolin-1-ium

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-quinolin-1-ium Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-quinolin-1-ium CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitroquinolin-1-ium IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitroquinolin-1-ium Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-quinolin-1-ium Formula: C14H18N4O2+2 MolecularWeight: 274.31832

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=[NH+]C3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=[NH+]C3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O2/c1-16-6-8-17(9-7-16)14-11-4-2-3-5-12(11)15-10-13(14)18(19)20/h2-5,10H,6-9H2,1H3/p+2