hexyl-[(3-methoxy-4-phenethyloxy-phenyl)methyl]azanium

Systemtic Name: hexyl-[(3-methoxy-4-phenethyloxy-phenyl)methyl]azanium Openeye Name: hexyl-[(3-methoxy-4-phenethyloxy-phenyl)methyl]ammonium CAS Name: hexyl-[(3-methoxy-4-phenethyloxyphenyl)methyl]ammonium IUPAC Name: hexyl-[(3-methoxy-4-phenethyloxyphenyl)methyl]azanium Traditional Name: hexyl-(3-methoxy-4-phenethyloxy-benzyl)ammonium Formula: C22H32NO2+ MolecularWeight: 342.49498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]CC1=CC(=C(C=C1)OCCC2=CC=CC=C2)OC

Isomeric SMILES

CCCCCC[NH2+]CC1=CC(=C(C=C1)OCCC2=CC=CC=C2)OC

InChI

InChI=1S/C22H31NO2/c1-3-4-5-9-15-23-18-20-12-13-21(22(17-20)24-2)25-16-14-19-10-7-6-8-11-19/h6-8,10-13,17,23H,3-5,9,14-16,18H2,1-2H3/p+1