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dimethyl-[3-(octadecanoylamino)propyl]-(phenylmethyl)azanium

dimethyl-[3-(octadecanoylamino)propyl]-(phenylmethyl)azanium

Systemtic Name:dimethyl-[3-(octadecanoylamino)propyl]-(phenylmethyl)azanium
Openeye Name:benzyl-dimethyl-[3-(octadecanoylamino)propyl]ammonium
CAS Name:dimethyl-[3-(1-oxooctadecylamino)propyl]-(phenylmethyl)ammonium
IUPAC Name:benzyl-dimethyl-[3-(octadecanoylamino)propyl]azanium
Traditional Name:benzyl-dimethyl-(3-stearamidopropyl)ammonium
Formula: C30H55N2O+
MolecularWeight: 459.7705
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1


InChI

InChI=1S/C30H54N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-30(33)31-26-22-27-32(2,3)28-29-23-19-18-20-24-29/h18-20,23-24H,4-17,21-22,25-28H2,1-3H3/p+1


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