(6-ethoxycarbonyl-2-methyl-4-oxidanylidene-1H-quinolin-3-yl)methyl-methyl-(phenylmethyl)azanium

Systemtic Name: (6-ethoxycarbonyl-2-methyl-4-oxidanylidene-1H-quinolin-3-yl)methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(6-ethoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]-methyl-ammonium CAS Name: (6-ethoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(6-ethoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]-methylazanium Traditional Name: benzyl-[(6-carbethoxy-4-keto-2-methyl-1H-quinolin-3-yl)methyl]-methyl-ammonium Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+](C)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+](C)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H24N2O3/c1-4-27-22(26)17-10-11-20-18(12-17)21(25)19(15(2)23-20)14-24(3)13-16-8-6-5-7-9-16/h5-12H,4,13-14H2,1-3H3,(H,23,25)/p+1