methyl-[[6-oxidanylidene-5-(quinolin-3-ylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[[6-oxidanylidene-5-(quinolin-3-ylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[[6-oxo-5-(3-quinolylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]ammonium CAS Name: methyl-[[6-oxo-5-[oxo-(3-quinolinylmethylamino)methyl]-1H-pyridin-2-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[[6-oxo-5-(quinolin-3-ylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]azanium Traditional Name: benzyl-[[6-keto-5-(3-quinolylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]-methyl-ammonium Formula: C25H25N4O2+ MolecularWeight: 413.4916

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C25H24N4O2/c1-29(16-18-7-3-2-4-8-18)17-21-11-12-22(25(31)28-21)24(30)27-15-19-13-20-9-5-6-10-23(20)26-14-19/h2-14H,15-17H2,1H3,(H,27,30)(H,28,31)/p+1