ethyl-[(2-methyl-4-oxidanylidene-6-phenylmethoxy-1H-quinolin-3-yl)methyl]-(phenylmethyl)azanium

Systemtic Name: ethyl-[(2-methyl-4-oxidanylidene-6-phenylmethoxy-1H-quinolin-3-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(6-benzyloxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]-ethyl-ammonium CAS Name: ethyl-[(2-methyl-4-oxo-6-phenylmethoxy-1H-quinolin-3-yl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[(2-methyl-4-oxo-6-phenylmethoxy-1H-quinolin-3-yl)methyl]azanium Traditional Name: (6-benzoxy-4-keto-2-methyl-1H-quinolin-3-yl)methyl-benzyl-ethyl-ammonium Formula: C27H29N2O2+ MolecularWeight: 413.53136

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=C(NC3=C(C2=O)C=C(C=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=C(NC3=C(C2=O)C=C(C=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C27H28N2O2/c1-3-29(17-21-10-6-4-7-11-21)18-25-20(2)28-26-15-14-23(16-24(26)27(25)30)31-19-22-12-8-5-9-13-22/h4-16H,3,17-19H2,1-2H3,(H,28,30)/p+1