[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-[(6-methyl-2-prop-2-enoxy-quinolin-3-yl)methyl]azanium

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-[(6-methyl-2-prop-2-enoxy-quinolin-3-yl)methyl]azanium Openeye Name: (2-allyloxy-6-methyl-3-quinolyl)methyl-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-[(6-methyl-2-prop-2-enoxy-3-quinolinyl)methyl]ammonium IUPAC Name: [(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]azanium Traditional Name: (2-allyloxy-6-methyl-3-quinolyl)methyl-[(1S)-2-amino-1-benzyl-2-keto-ethyl]ammonium Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)OCC=C)C[NH2+]C(CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)OCC=C)C[NH2+][C@@H](CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C23H25N3O2/c1-3-11-28-23-19(14-18-12-16(2)9-10-20(18)26-23)15-25-21(22(24)27)13-17-7-5-4-6-8-17/h3-10,12,14,21,25H,1,11,13,15H2,2H3,(H2,24,27)/p+1/t21-/m0/s1