(5-chloranyl-2-oxidanyl-phenyl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: (5-chloranyl-2-oxidanyl-phenyl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium Openeye Name: (5-chloro-2-hydroxy-phenyl)methyl-phenethyl-(4-pyridylmethyl)ammonium CAS Name: (5-chloro-2-hydroxyphenyl)methyl-phenethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: (5-chloro-2-hydroxyphenyl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium Traditional Name: (5-chloro-2-hydroxy-benzyl)-phenethyl-(4-pyridylmethyl)ammonium Formula: C21H22ClN2O+ MolecularWeight: 353.86518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O/c22-20-6-7-21(25)19(14-20)16-24(15-18-8-11-23-12-9-18)13-10-17-4-2-1-3-5-17/h1-9,11-12,14,25H,10,13,15-16H2/p+1