[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(furan-2-ylmethyl)azanium

Systemtic Name: [3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(furan-2-ylmethyl)azanium Openeye Name: [3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl-(2-furylmethyl)ammonium CAS Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2-furanylmethyl)ammonium IUPAC Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(furan-2-ylmethyl)azanium Traditional Name: [3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]-(2-furfuryl)ammonium Formula: C21H23BrNO3+ MolecularWeight: 417.31622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]CC3=CC=CO3)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]CC3=CC=CO3)OC

InChI

InChI=1S/C21H22BrNO3/c1-15-5-7-16(8-6-15)14-26-21-19(22)10-17(11-20(21)24-2)12-23-13-18-4-3-9-25-18/h3-11,23H,12-14H2,1-2H3/p+1