(3-ethoxycarbonyl-4-methyl-quinolin-2-yl)methyl-[(1S)-2-methyl-1-phenyl-propyl]azanium

Systemtic Name: (3-ethoxycarbonyl-4-methyl-quinolin-2-yl)methyl-[(1S)-2-methyl-1-phenyl-propyl]azanium Openeye Name: (3-ethoxycarbonyl-4-methyl-2-quinolyl)methyl-[(1S)-2-methyl-1-phenyl-propyl]ammonium CAS Name: (3-ethoxycarbonyl-4-methyl-2-quinolinyl)methyl-[(1S)-2-methyl-1-phenylpropyl]ammonium IUPAC Name: (3-ethoxycarbonyl-4-methylquinolin-2-yl)methyl-[(1S)-2-methyl-1-phenylpropyl]azanium Traditional Name: (3-carbethoxy-4-methyl-2-quinolyl)methyl-[(1S)-2-methyl-1-phenyl-propyl]ammonium Formula: C24H29N2O2+ MolecularWeight: 377.49926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O2/c1-5-28-24(27)22-17(4)19-13-9-10-14-20(19)26-21(22)15-25-23(16(2)3)18-11-7-6-8-12-18/h6-14,16,23,25H,5,15H2,1-4H3/p+1/t23-/m0/s1