4-heptanoyloxypentyl-dimethyl-(2-phenylprop-2-enyl)azanium

Systemtic Name: 4-heptanoyloxypentyl-dimethyl-(2-phenylprop-2-enyl)azanium Openeye Name: 4-heptanoyloxypentyl-dimethyl-(2-phenylallyl)ammonium CAS Name: dimethyl-[4-(1-oxoheptoxy)pentyl]-(2-phenylprop-2-enyl)ammonium IUPAC Name: 4-heptanoyloxypentyl-dimethyl-(2-phenylprop-2-enyl)azanium Traditional Name: 4-enanthyloxypentyl-dimethyl-(2-phenylallyl)ammonium Formula: C23H38NO2+ MolecularWeight: 360.55332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC(C)CCC[N+](C)(C)CC(=C)C1=CC=CC=C1

Isomeric SMILES

CCCCCCC(=O)OC(C)CCC[N+](C)(C)CC(=C)C1=CC=CC=C1

InChI

InChI=1S/C23H38NO2/c1-6-7-8-12-17-23(25)26-21(3)14-13-18-24(4,5)19-20(2)22-15-10-9-11-16-22/h9-11,15-16,21H,2,6-8,12-14,17-19H2,1,3-5H3/q+1