methyl-[(5S)-5-oxidanyl-5-phenyl-5-(4-phenylphenyl)pent-2-ynyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[(5S)-5-oxidanyl-5-phenyl-5-(4-phenylphenyl)pent-2-ynyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(5S)-5-hydroxy-5-phenyl-5-(4-phenylphenyl)pent-2-ynyl]-methyl-ammonium CAS Name: [(5S)-5-hydroxy-5-phenyl-5-(4-phenylphenyl)pent-2-ynyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(5S)-5-hydroxy-5-phenyl-5-(4-phenylphenyl)pent-2-ynyl]-methylazanium Traditional Name: benzyl-[(5S)-5-hydroxy-5-phenyl-5-(4-phenylphenyl)pent-2-ynyl]-methyl-ammonium Formula: C31H30NO+ MolecularWeight: 432.576

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC#CCC(C1=CC=CC=C1)(C2=CC=C(C=C2)C3=CC=CC=C3)O)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC#CC[C@](C1=CC=CC=C1)(C2=CC=C(C=C2)C3=CC=CC=C3)O)CC4=CC=CC=C4

InChI

InChI=1S/C31H29NO/c1-32(25-26-13-5-2-6-14-26)24-12-11-23-31(33,29-17-9-4-10-18-29)30-21-19-28(20-22-30)27-15-7-3-8-16-27/h2-10,13-22,33H,23-25H2,1H3/p+1/t31-/m0/s1