4-[5-[(4-chloranyl-3-methyl-phenoxy)methyl]furan-2-yl]-2-methyl-5-oxidanylidene-N-pyridin-1-ium-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide

Systemtic Name: 4-[5-[(4-chloranyl-3-methyl-phenoxy)methyl]furan-2-yl]-2-methyl-5-oxidanylidene-N-pyridin-1-ium-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: 4-[5-[(4-chloro-3-methyl-phenoxy)methyl]-2-furyl]-2-methyl-5-oxo-N-pyridin-1-ium-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide CAS Name: 4-[5-[(4-chloro-3-methylphenoxy)methyl]-2-furanyl]-2-methyl-5-oxo-N-(2-pyridin-1-iumyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: 4-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]-2-methyl-5-oxo-N-pyridin-1-ium-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: 4-[5-[(4-chloro-3-methyl-phenoxy)methyl]-2-furyl]-5-keto-2-methyl-N-pyridin-1-ium-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide Formula: C28H27ClN3O4+ MolecularWeight: 504.98468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=C(O2)C3C4C(=O)CCC=C4NC(=C3C(=O)NC5=CC=CC=[NH+]5)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=C(O2)C3C4C(=O)CCC=C4NC(=C3C(=O)NC5=CC=CC=[NH+]5)C)Cl

InChI

InChI=1S/C28H26ClN3O4/c1-16-14-18(9-11-20(16)29)35-15-19-10-12-23(36-19)27-25(28(34)32-24-8-3-4-13-30-24)17(2)31-21-6-5-7-22(33)26(21)27/h3-4,6,8-14,26-27,31H,5,7,15H2,1-2H3,(H,30,32,34)/p+1