(diphenylmethyl)-[(7-methoxy-2-oxidanylidene-1-prop-2-ynyl-quinolin-3-yl)methyl]azanium

Systemtic Name: (diphenylmethyl)-[(7-methoxy-2-oxidanylidene-1-prop-2-ynyl-quinolin-3-yl)methyl]azanium Openeye Name: benzhydryl-[(7-methoxy-2-oxo-1-prop-2-ynyl-3-quinolyl)methyl]ammonium CAS Name: (diphenylmethyl)-[(7-methoxy-2-oxo-1-prop-2-ynyl-3-quinolinyl)methyl]ammonium IUPAC Name: benzhydryl-[(7-methoxy-2-oxo-1-prop-2-ynylquinolin-3-yl)methyl]azanium Traditional Name: benzhydryl-[(2-keto-7-methoxy-1-propargyl-3-quinolyl)methyl]ammonium Formula: C27H25N2O2+ MolecularWeight: 409.4996

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O2/c1-3-16-29-25-18-24(31-2)15-14-22(25)17-23(27(29)30)19-28-26(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h1,4-15,17-18,26,28H,16,19H2,2H3/p+1