ethyl 6-methoxy-4-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]quinoline-3-carboxylate

Systemtic Name: ethyl 6-methoxy-4-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]quinoline-3-carboxylate Openeye Name: ethyl 6-methoxy-4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]quinoline-3-carboxylate CAS Name: 6-methoxy-4-[4-(4-methyl-1-piperazin-4-iumyl)anilino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-methoxy-4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]quinoline-3-carboxylate Traditional Name: 6-methoxy-4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]quinoline-3-carboxylic acid ethyl ester Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=C(C=C3)N4CC[NH+](CC4)C)OC

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=C(C=C3)N4CC[NH+](CC4)C)OC

InChI

InChI=1S/C24H28N4O3/c1-4-31-24(29)21-16-25-22-10-9-19(30-3)15-20(22)23(21)26-17-5-7-18(8-6-17)28-13-11-27(2)12-14-28/h5-10,15-16H,4,11-14H2,1-3H3,(H,25,26)/p+1