6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxylic acid CAS Name: 6-methoxy-4-(4-methyl-1-piperazin-4-iumyl)-3-quinolinecarboxylic acid IUPAC Name: 6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxylic acid Formula: C16H20N3O3+ MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C3C=C(C=CC3=NC=C2C(=O)O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C3C=C(C=CC3=NC=C2C(=O)O)OC

InChI

InChI=1S/C16H19N3O3/c1-18-5-7-19(8-6-18)15-12-9-11(22-2)3-4-14(12)17-10-13(15)16(20)21/h3-4,9-10H,5-8H2,1-2H3,(H,20,21)/p+1