(4-cyclopentyloxy-3-ethoxy-phenyl)methyl-(phenylmethyl)azanium

Systemtic Name: (4-cyclopentyloxy-3-ethoxy-phenyl)methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[4-(cyclopentoxy)-3-ethoxy-phenyl]methyl]ammonium CAS Name: (4-cyclopentyloxy-3-ethoxyphenyl)methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]azanium Traditional Name: benzyl-[4-(cyclopentoxy)-3-ethoxy-benzyl]ammonium Formula: C21H28NO2+ MolecularWeight: 326.45252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=CC=C2)OC3CCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=CC=C2)OC3CCCC3

InChI

InChI=1S/C21H27NO2/c1-2-23-21-14-18(16-22-15-17-8-4-3-5-9-17)12-13-20(21)24-19-10-6-7-11-19/h3-5,8-9,12-14,19,22H,2,6-7,10-11,15-16H2,1H3/p+1