[3,5-bis(chloranyl)-4-oxidanyl-phenyl]methyl-phenethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [3,5-bis(chloranyl)-4-oxidanyl-phenyl]methyl-phenethyl-(pyridin-4-ylmethyl)azanium Openeye Name: (3,5-dichloro-4-hydroxy-phenyl)methyl-phenethyl-(4-pyridylmethyl)ammonium CAS Name: (3,5-dichloro-4-hydroxyphenyl)methyl-phenethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: (3,5-dichloro-4-hydroxyphenyl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium Traditional Name: (3,5-dichloro-4-hydroxy-benzyl)-phenethyl-(4-pyridylmethyl)ammonium Formula: C21H21Cl2N2O+ MolecularWeight: 388.31024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[NH+](CC2=CC=NC=C2)CC3=CC(=C(C(=C3)Cl)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC[NH+](CC2=CC=NC=C2)CC3=CC(=C(C(=C3)Cl)O)Cl

InChI

InChI=1S/C21H20Cl2N2O/c22-19-12-18(13-20(23)21(19)26)15-25(14-17-6-9-24-10-7-17)11-8-16-4-2-1-3-5-16/h1-7,9-10,12-13,26H,8,11,14-15H2/p+1