2-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinoline-6-carboxylic acid

Systemtic Name: 2-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinoline-6-carboxylic acid Openeye Name: 2-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinoline-6-carboxylic acid CAS Name: 2-methyl-4-[3-(4-morpholin-4-iumyl)propylamino]-6-quinolinecarboxylic acid IUPAC Name: 2-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinoline-6-carboxylic acid Traditional Name: 2-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinoline-6-carboxylic acid Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)O)C(=C1)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)O)C(=C1)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C18H23N3O3/c1-13-11-17(19-5-2-6-21-7-9-24-10-8-21)15-12-14(18(22)23)3-4-16(15)20-13/h3-4,11-12H,2,5-10H2,1H3,(H,19,20)(H,22,23)/p+1