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

Systemtic Name: propyl 3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: propyl 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-carboxylic acid propyl ester IUPAC Name: propyl 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-carboxylic acid propyl ester Formula: C21H31N3O3+2 MolecularWeight: 373.48914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)CC)C

Isomeric SMILES

CCCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)CC)C

InChI

InChI=1S/C21H29N3O3/c1-4-12-27-21(26)16-6-7-19-17(13-16)20(25)18(15(3)22-19)14-24-10-8-23(5-2)9-11-24/h6-7,13H,4-5,8-12,14H2,1-3H3,(H,22,25)/p+2