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

Systemtic Name: [3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(3-butoxypropyl)azanium Openeye Name: [3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl-(3-butoxypropyl)ammonium CAS Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(3-butoxypropyl)ammonium IUPAC Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(3-butoxypropyl)azanium Traditional Name: [3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]-(3-butoxypropyl)ammonium Formula: C23H33BrNO3+ MolecularWeight: 451.41702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C)OC

Isomeric SMILES

CCCCOCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C)OC

InChI

InChI=1S/C23H32BrNO3/c1-4-5-12-27-13-6-11-25-16-20-14-21(24)23(22(15-20)26-3)28-17-19-9-7-18(2)8-10-19/h7-10,14-15,25H,4-6,11-13,16-17H2,1-3H3/p+1