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

Systemtic Name: 1-[(2R)-2-(4-methoxyphenyl)-3-methyl-4-(2-phenylethynyl)chromen-2-yl]piperidin-1-ium Openeye Name: 1-[(2R)-2-(4-methoxyphenyl)-3-methyl-4-(2-phenylethynyl)chromen-2-yl]piperidin-1-ium CAS Name: 1-[(2R)-2-(4-methoxyphenyl)-3-methyl-4-(2-phenylethynyl)-1-benzopyran-2-yl]piperidin-1-ium IUPAC Name: 1-[(2R)-2-(4-methoxyphenyl)-3-methyl-4-(2-phenylethynyl)chromen-2-yl]piperidin-1-ium Traditional Name: 1-[(2R)-2-(4-methoxyphenyl)-3-methyl-4-(2-phenylethynyl)chromen-2-yl]piperidin-1-ium Formula: C30H30NO2+ MolecularWeight: 436.5647

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H29NO2/c1-23-27(20-15-24-11-5-3-6-12-24)28-13-7-8-14-29(28)33-30(23,31-21-9-4-10-22-31)25-16-18-26(32-2)19-17-25/h3,5-8,11-14,16-19H,4,9-10,21-22H2,1-2H3/p+1/t30-/m0/s1