2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-oxidanylidene-1H-quinoline-8-carboxylate

Systemtic Name: 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-oxidanylidene-1H-quinoline-8-carboxylate Openeye Name: 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-oxo-1H-quinoline-8-carboxylate CAS Name: 2-methyl-3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-4-oxo-1H-quinoline-8-carboxylate IUPAC Name: 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-oxo-1H-quinoline-8-carboxylate Traditional Name: 4-keto-2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinoline-8-carboxylate Formula: C17H22N3O3+ MolecularWeight: 316.37488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C(=CC=C2)C(=O)[O-])C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C(=CC=C2)C(=O)[O-])C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C17H21N3O3/c1-11-14(10-20-8-6-19(2)7-9-20)16(21)12-4-3-5-13(17(22)23)15(12)18-11/h3-5H,6-10H2,1-2H3,(H,18,21)(H,22,23)/p+1