trihexyl-[[4-[[4-(4-propylheptan-4-yl)phenoxy]methyl]phenyl]methyl]azanium

Systemtic Name: trihexyl-[[4-[[4-(4-propylheptan-4-yl)phenoxy]methyl]phenyl]methyl]azanium Openeye Name: [4-[[4-(1,1-dipropylbutyl)phenoxy]methyl]phenyl]methyl-trihexyl-ammonium CAS Name: trihexyl-[[4-[[4-(4-propylheptan-4-yl)phenoxy]methyl]phenyl]methyl]ammonium IUPAC Name: trihexyl-[[4-[[4-(4-propylheptan-4-yl)phenoxy]methyl]phenyl]methyl]azanium Traditional Name: [4-[[4-(1,1-dipropylbutyl)phenoxy]methyl]benzyl]-trihexyl-ammonium Formula: C42H72NO+ MolecularWeight: 607.02718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](CCCCCC)(CCCCCC)CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(CCC)(CCC)CCC

Isomeric SMILES

CCCCCC[N+](CCCCCC)(CCCCCC)CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(CCC)(CCC)CCC

InChI

InChI=1S/C42H72NO/c1-7-13-16-19-33-43(34-20-17-14-8-2,35-21-18-15-9-3)36-38-22-24-39(25-23-38)37-44-41-28-26-40(27-29-41)42(30-10-4,31-11-5)32-12-6/h22-29H,7-21,30-37H2,1-6H3/q+1