ethyl 8-methoxy-4-piperazin-4-ium-1-yl-quinoline-3-carboxylate

Systemtic Name: ethyl 8-methoxy-4-piperazin-4-ium-1-yl-quinoline-3-carboxylate Openeye Name: ethyl 8-methoxy-4-piperazin-4-ium-1-yl-quinoline-3-carboxylate CAS Name: 8-methoxy-4-(1-piperazin-4-iumyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-methoxy-4-piperazin-4-ium-1-ylquinoline-3-carboxylate Traditional Name: 8-methoxy-4-piperazin-4-ium-1-yl-quinoline-3-carboxylic acid ethyl ester Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1N3CC[NH2+]CC3)C=CC=C2OC

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1N3CC[NH2+]CC3)C=CC=C2OC

InChI

InChI=1S/C17H21N3O3/c1-3-23-17(21)13-11-19-15-12(5-4-6-14(15)22-2)16(13)20-9-7-18-8-10-20/h4-6,11,18H,3,7-10H2,1-2H3/p+1