[(R)-(4-chlorophenyl)-phenyl-methyl]-[(7-methoxy-2-oxidanylidene-1-prop-2-ynyl-quinolin-3-yl)methyl]azanium

Systemtic Name: [(R)-(4-chlorophenyl)-phenyl-methyl]-[(7-methoxy-2-oxidanylidene-1-prop-2-ynyl-quinolin-3-yl)methyl]azanium Openeye Name: [(R)-(4-chlorophenyl)-phenyl-methyl]-[(7-methoxy-2-oxo-1-prop-2-ynyl-3-quinolyl)methyl]ammonium CAS Name: [(R)-(4-chlorophenyl)-phenylmethyl]-[(7-methoxy-2-oxo-1-prop-2-ynyl-3-quinolinyl)methyl]ammonium IUPAC Name: [(R)-(4-chlorophenyl)-phenylmethyl]-[(7-methoxy-2-oxo-1-prop-2-ynylquinolin-3-yl)methyl]azanium Traditional Name: [(R)-(4-chlorophenyl)-phenyl-methyl]-[(2-keto-7-methoxy-1-propargyl-3-quinolyl)methyl]ammonium Formula: C27H24ClN2O2+ MolecularWeight: 443.94466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)N2CC#C)C[NH2+]C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)N2CC#C)C[NH2+][C@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H23ClN2O2/c1-3-15-30-25-17-24(32-2)14-11-21(25)16-22(27(30)31)18-29-26(19-7-5-4-6-8-19)20-9-12-23(28)13-10-20/h1,4-14,16-17,26,29H,15,18H2,2H3/p+1/t26-/m1/s1