cyclohexyl-[(2R)-3-methyl-2-phenyl-4-(2-phenylethynyl)chromen-2-yl]azanium

Systemtic Name: cyclohexyl-[(2R)-3-methyl-2-phenyl-4-(2-phenylethynyl)chromen-2-yl]azanium Openeye Name: cyclohexyl-[(2R)-3-methyl-2-phenyl-4-(2-phenylethynyl)chromen-2-yl]ammonium CAS Name: cyclohexyl-[(2R)-3-methyl-2-phenyl-4-(2-phenylethynyl)-1-benzopyran-2-yl]ammonium IUPAC Name: cyclohexyl-[(2R)-3-methyl-2-phenyl-4-(2-phenylethynyl)chromen-2-yl]azanium Traditional Name: cyclohexyl-[(2R)-3-methyl-2-phenyl-4-(2-phenylethynyl)chromen-2-yl]ammonium Formula: C30H30NO+ MolecularWeight: 420.5653

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2OC1(C3=CC=CC=C3)[NH2+]C4CCCCC4)C#CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2O[C@@]1(C3=CC=CC=C3)[NH2+]C4CCCCC4)C#CC5=CC=CC=C5

InChI

InChI=1S/C30H29NO/c1-23-27(22-21-24-13-5-2-6-14-24)28-19-11-12-20-29(28)32-30(23,25-15-7-3-8-16-25)31-26-17-9-4-10-18-26/h2-3,5-8,11-16,19-20,26,31H,4,9-10,17-18H2,1H3/p+1/t30-/m0/s1