1-[[1-[(3-fluorophenyl)methyl]-6-methyl-2-oxidanylidene-quinolin-3-yl]methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[1-[(3-fluorophenyl)methyl]-6-methyl-2-oxidanylidene-quinolin-3-yl]methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[[1-[(3-fluorophenyl)methyl]-6-methyl-2-oxo-3-quinolyl]methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[[1-[(3-fluorophenyl)methyl]-6-methyl-2-oxo-3-quinolinyl]methyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[1-[(3-fluorophenyl)methyl]-6-methyl-2-oxoquinolin-3-yl]methyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[[1-(3-fluorobenzyl)-2-keto-6-methyl-3-quinolyl]methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Formula: C29H37FN4O2+2 MolecularWeight: 492.628083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(=C2)C[NH+]3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)CC5=CC(=CC=C5)F

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(=C2)C[NH+]3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)CC5=CC(=CC=C5)F

InChI

InChI=1S/C29H35FN4O2/c1-21-8-9-26-23(16-21)18-24(27(35)34(26)19-22-6-5-7-25(30)17-22)20-32-14-10-29(11-15-32,28(31)36)33-12-3-2-4-13-33/h5-9,16-18H,2-4,10-15,19-20H2,1H3,(H2,31,36)/p+2