1-[(2R)-3-methyl-2-phenyl-4-(2-phenylethynyl)chromen-2-yl]piperidin-1-ium

Systemtic Name: 1-[(2R)-3-methyl-2-phenyl-4-(2-phenylethynyl)chromen-2-yl]piperidin-1-ium Openeye Name: 1-[(2R)-3-methyl-2-phenyl-4-(2-phenylethynyl)chromen-2-yl]piperidin-1-ium CAS Name: 1-[(2R)-3-methyl-2-phenyl-4-(2-phenylethynyl)-1-benzopyran-2-yl]piperidin-1-ium IUPAC Name: 1-[(2R)-3-methyl-2-phenyl-4-(2-phenylethynyl)chromen-2-yl]piperidin-1-ium Traditional Name: 1-[(2R)-3-methyl-2-phenyl-4-(2-phenylethynyl)chromen-2-yl]piperidin-1-ium Formula: C29H28NO+ MolecularWeight: 406.53872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2OC1(C3=CC=CC=C3)[NH+]4CCCCC4)C#CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2O[C@@]1(C3=CC=CC=C3)[NH+]4CCCCC4)C#CC5=CC=CC=C5

InChI

InChI=1S/C29H27NO/c1-23-26(20-19-24-13-5-2-6-14-24)27-17-9-10-18-28(27)31-29(23,25-15-7-3-8-16-25)30-21-11-4-12-22-30/h2-3,5-10,13-18H,4,11-12,21-22H2,1H3/p+1/t29-/m0/s1