5-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-nitro-quinolin-8-olate

Systemtic Name: 5-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-nitro-quinolin-8-olate Openeye Name: 5-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-nitro-quinolin-8-olate CAS Name: 5-[(4-methyl-1-piperidin-1-iumyl)methyl]-7-nitro-8-quinolinolate IUPAC Name: 5-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-nitroquinolin-8-olate Traditional Name: 5-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-nitro-quinolin-8-olate Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC(=C(C3=C2C=CC=N3)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC(=C(C3=C2C=CC=N3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O3/c1-11-4-7-18(8-5-11)10-12-9-14(19(21)22)16(20)15-13(12)3-2-6-17-15/h2-3,6,9,11,20H,4-5,7-8,10H2,1H3