(3-bromanyl-4-cyclopentyloxy-5-methoxy-phenyl)methyl-phenethyl-azanium

Systemtic Name: (3-bromanyl-4-cyclopentyloxy-5-methoxy-phenyl)methyl-phenethyl-azanium Openeye Name: [3-bromo-4-(cyclopentoxy)-5-methoxy-phenyl]methyl-phenethyl-ammonium CAS Name: (3-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl-phenethylammonium IUPAC Name: (3-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl-phenethylazanium Traditional Name: [3-bromo-4-(cyclopentoxy)-5-methoxy-benzyl]-phenethyl-ammonium Formula: C21H27BrNO2+ MolecularWeight: 405.34858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCC2=CC=CC=C2)Br)OC3CCCC3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCC2=CC=CC=C2)Br)OC3CCCC3

InChI

InChI=1S/C21H26BrNO2/c1-24-20-14-17(15-23-12-11-16-7-3-2-4-8-16)13-19(22)21(20)25-18-9-5-6-10-18/h2-4,7-8,13-14,18,23H,5-6,9-12,15H2,1H3/p+1