ethyl 6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carboxylate CAS Name: 6-methoxy-4-(4-methyl-1-piperazin-4-iumyl)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carboxylate Traditional Name: 6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C18H25N3O3+2 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1N3CC[NH+](CC3)C)OC

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1N3CC[NH+](CC3)C)OC

InChI

InChI=1S/C18H23N3O3/c1-4-24-18(22)15-12-19-16-6-5-13(23-3)11-14(16)17(15)21-9-7-20(2)8-10-21/h5-6,11-12H,4,7-10H2,1-3H3/p+2