3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-4-oxidanylidene-1H-quinoline-6-carboxylate

Systemtic Name: 3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: 3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate CAS Name: 3-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate IUPAC Name: 3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-keto-2-methyl-1H-quinoline-6-carboxylate Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=C(NC3=C(C2=O)C=C(C=C3)C(=O)[O-])C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(NC3=C(C2=O)C=C(C=C3)C(=O)[O-])C

InChI

InChI=1S/C18H23N3O3/c1-3-20-6-8-21(9-7-20)11-15-12(2)19-16-5-4-13(18(23)24)10-14(16)17(15)22/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,22)(H,23,24)/p+1