N-[[(3S)-1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide

Systemtic Name: N-[[(3S)-1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[(3S)-1-[(6-ethoxy-2-quinolyl)methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[(3S)-1-[(6-ethoxy-2-quinolinyl)methyl]-3-piperidin-1-iumyl]methyl]-2-furancarboxamide IUPAC Name: N-[[(3S)-1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[(3S)-1-[(6-ethoxy-2-quinolyl)methyl]piperidin-1-ium-3-yl]methyl]-2-furamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C=C2)C[NH+]3CCCC(C3)CNC(=O)C4=CC=CO4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C=C2)C[NH+]3CCC[C@H](C3)CNC(=O)C4=CC=CO4

InChI

InChI=1S/C23H27N3O3/c1-2-28-20-9-10-21-18(13-20)7-8-19(25-21)16-26-11-3-5-17(15-26)14-24-23(27)22-6-4-12-29-22/h4,6-10,12-13,17H,2-3,5,11,14-16H2,1H3,(H,24,27)/p+1/t17-/m0/s1