4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-8-morpholin-4-yl-quinoline-3-carboxylic acid

Systemtic Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-8-morpholin-4-yl-quinoline-3-carboxylic acid Openeye Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-8-morpholino-quinoline-3-carboxylic acid CAS Name: 4-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-8-(4-morpholinyl)-3-quinolinecarboxylic acid IUPAC Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-8-morpholin-4-ylquinoline-3-carboxylic acid Traditional Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-8-morpholino-quinoline-3-carboxylic acid Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C2=C3C=CC=C(C3=NC=C2C(=O)O)N4CCOCC4

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C2=C3C=CC=C(C3=NC=C2C(=O)O)N4CCOCC4

InChI

InChI=1S/C21H28N4O3/c1-23-8-6-15(7-9-23)24(2)20-16-4-3-5-18(25-10-12-28-13-11-25)19(16)22-14-17(20)21(26)27/h3-5,14-15H,6-13H2,1-2H3,(H,26,27)/p+1