5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-nitro-quinolin-8-olate

Systemtic Name: 5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-nitro-quinolin-8-olate Openeye Name: 5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-nitro-quinolin-8-olate CAS Name: 5-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-7-nitro-8-quinolinolate IUPAC Name: 5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-nitroquinolin-8-olate Traditional Name: 5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-nitro-quinolin-8-olate Formula: C15H19N4O3+ MolecularWeight: 303.33636

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=CC(=C(C3=C2C=CC=N3)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=CC(=C(C3=C2C=CC=N3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O3/c1-17-5-7-18(8-6-17)10-11-9-13(19(21)22)15(20)14-12(11)3-2-4-16-14/h2-4,9,20H,5-8,10H2,1H3/p+1