propyl 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-4-oxidanylidene-1H-quinoline-6-carboxylate

Systemtic Name: propyl 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: propyl 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate CAS Name: 3-[(4-ethyl-1-piperazin-4-iumyl)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid propyl ester IUPAC Name: propyl 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-keto-2-methyl-1H-quinoline-6-carboxylic acid propyl ester Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)CN3CC[NH+](CC3)CC)C

Isomeric SMILES

CCCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)CN3CC[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+1