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dimethyl-(octadecoxymethyl)-[2-(phenylcarbonyloxy)ethyl]azanium

dimethyl-(octadecoxymethyl)-[2-(phenylcarbonyloxy)ethyl]azanium

Systemtic Name:dimethyl-(octadecoxymethyl)-[2-(phenylcarbonyloxy)ethyl]azanium
Openeye Name:2-benzoyloxyethyl-dimethyl-(octadecoxymethyl)ammonium
CAS Name:2-benzoyloxyethyl-dimethyl-(octadecoxymethyl)ammonium
IUPAC Name:2-benzoyloxyethyl-dimethyl-(octadecoxymethyl)azanium
Traditional Name:2-benzoyloxyethyl-dimethyl-(stearyloxymethyl)ammonium
Formula: C30H54NO3+
MolecularWeight: 476.75466
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC[N+](C)(C)CCOC(=O)C1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC[N+](C)(C)CCOC(=O)C1=CC=CC=C1


InChI

InChI=1S/C30H54NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-33-28-31(2,3)25-27-34-30(32)29-23-20-19-21-24-29/h19-21,23-24H,4-18,22,25-28H2,1-3H3/q+1


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