[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-cyclopentyl-azanium

Systemtic Name: [3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-cyclopentyl-azanium Openeye Name: [3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl-cyclopentyl-ammonium CAS Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-cyclopentylammonium IUPAC Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-cyclopentylazanium Traditional Name: [3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]-cyclopentyl-ammonium Formula: C21H27BrNO2+ MolecularWeight: 405.34858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]C3CCCC3)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]C3CCCC3)OC

InChI

InChI=1S/C21H26BrNO2/c1-15-7-9-16(10-8-15)14-25-21-19(22)11-17(12-20(21)24-2)13-23-18-5-3-4-6-18/h7-12,18,23H,3-6,13-14H2,1-2H3/p+1