(2-oxidanyl-5-pyridin-3-yl-phenyl)methyl-phenethyl-(phenylmethyl)azanium

Systemtic Name: (2-oxidanyl-5-pyridin-3-yl-phenyl)methyl-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-[[2-hydroxy-5-(3-pyridyl)phenyl]methyl]-phenethyl-ammonium CAS Name: [2-hydroxy-5-(3-pyridinyl)phenyl]methyl-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2-hydroxy-5-pyridin-3-ylphenyl)methyl]-phenethylazanium Traditional Name: benzyl-[2-hydroxy-5-(3-pyridyl)benzyl]-phenethyl-ammonium Formula: C27H27N2O+ MolecularWeight: 395.51608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[NH+](CC2=CC=CC=C2)CC3=C(C=CC(=C3)C4=CN=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CC[NH+](CC2=CC=CC=C2)CC3=C(C=CC(=C3)C4=CN=CC=C4)O

InChI

InChI=1S/C27H26N2O/c30-27-14-13-24(25-12-7-16-28-19-25)18-26(27)21-29(20-23-10-5-2-6-11-23)17-15-22-8-3-1-4-9-22/h1-14,16,18-19,30H,15,17,20-21H2/p+1