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

Systemtic Name: [3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-cycloheptyl-azanium Openeye Name: [3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl-cycloheptyl-ammonium CAS Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-cycloheptylammonium IUPAC Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-cycloheptylazanium Traditional Name: [3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]-cycloheptyl-ammonium Formula: C23H31BrNO2+ MolecularWeight: 433.40174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]C3CCCCCC3)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]C3CCCCCC3)OC

InChI

InChI=1S/C23H30BrNO2/c1-17-9-11-18(12-10-17)16-27-23-21(24)13-19(14-22(23)26-2)15-25-20-7-5-3-4-6-8-20/h9-14,20,25H,3-8,15-16H2,1-2H3/p+1