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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-propyl-azanium Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-propyl-ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-propylammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-propylazanium Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-propyl-ammonium Formula: C20H27BrNO2+ MolecularWeight: 393.33788

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C)OCC

Isomeric SMILES

CCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C)OCC

InChI

InChI=1S/C20H26BrNO2/c1-4-10-22-13-17-11-18(21)20(19(12-17)23-5-2)24-14-16-8-6-15(3)7-9-16/h6-9,11-12,22H,4-5,10,13-14H2,1-3H3/p+1