(3-ethoxycarbonyl-4-methyl-quinolin-2-yl)methyl-[(1R)-1-phenylethyl]azanium

Systemtic Name: (3-ethoxycarbonyl-4-methyl-quinolin-2-yl)methyl-[(1R)-1-phenylethyl]azanium Openeye Name: (3-ethoxycarbonyl-4-methyl-2-quinolyl)methyl-[(1R)-1-phenylethyl]ammonium CAS Name: (3-ethoxycarbonyl-4-methyl-2-quinolinyl)methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: (3-ethoxycarbonyl-4-methylquinolin-2-yl)methyl-[(1R)-1-phenylethyl]azanium Traditional Name: (3-carbethoxy-4-methyl-2-quinolyl)methyl-[(1R)-1-phenylethyl]ammonium Formula: C22H25N2O2+ MolecularWeight: 349.4461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH2+]C(C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH2+][C@H](C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H24N2O2/c1-4-26-22(25)21-15(2)18-12-8-9-13-19(18)24-20(21)14-23-16(3)17-10-6-5-7-11-17/h5-13,16,23H,4,14H2,1-3H3/p+1/t16-/m1/s1