(2-bromanyl-4-cyclopentyloxy-5-methoxy-phenyl)methyl-(phenylmethyl)azanium

Systemtic Name: (2-bromanyl-4-cyclopentyloxy-5-methoxy-phenyl)methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[2-bromo-4-(cyclopentoxy)-5-methoxy-phenyl]methyl]ammonium CAS Name: (2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]azanium Traditional Name: benzyl-[2-bromo-4-(cyclopentoxy)-5-methoxy-benzyl]ammonium Formula: C20H25BrNO2+ MolecularWeight: 391.322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH2+]CC2=CC=CC=C2)Br)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH2+]CC2=CC=CC=C2)Br)OC3CCCC3

InChI

InChI=1S/C20H24BrNO2/c1-23-19-11-16(14-22-13-15-7-3-2-4-8-15)18(21)12-20(19)24-17-9-5-6-10-17/h2-4,7-8,11-12,17,22H,5-6,9-10,13-14H2,1H3/p+1