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7-pentyltridecan-7-yl(1-phenylprop-2-enyl)azanium

7-pentyltridecan-7-yl(1-phenylprop-2-enyl)azanium

Systemtic Name:7-pentyltridecan-7-yl(1-phenylprop-2-enyl)azanium
Openeye Name:(1-hexyl-1-pentyl-heptyl)-(1-phenylallyl)ammonium
CAS Name:7-pentyltridecan-7-yl(1-phenylprop-2-enyl)ammonium
IUPAC Name:7-pentyltridecan-7-yl(1-phenylprop-2-enyl)azanium
Traditional Name:(1-amyl-1-hexyl-heptyl)-(1-phenylallyl)ammonium
Formula: C27H48N+
MolecularWeight: 386.67672
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCC)(CCCCCC)[NH2+]C(C=C)C1=CC=CC=C1


Isomeric SMILES

CCCCCCC(CCCCC)(CCCCCC)[NH2+]C(C=C)C1=CC=CC=C1


InChI

InChI=1S/C27H47N/c1-5-9-12-18-23-27(22-17-11-7-3,24-19-13-10-6-2)28-26(8-4)25-20-15-14-16-21-25/h8,14-16,20-21,26,28H,4-7,9-13,17-19,22-24H2,1-3H3/p+1


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