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hexadecyl(trimethyl)azanium; 2-(6-methoxynaphthalen-2-yl)propanoate

hexadecyl(trimethyl)azanium; 2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name:hexadecyl(trimethyl)azanium; 2-(6-methoxynaphthalen-2-yl)propanoate
Openeye Name:hexadecyl(trimethyl)ammonium; 2-(6-methoxy-2-naphthyl)propanoate
CAS Name:hexadecyl(trimethyl)ammonium; 2-(6-methoxy-2-naphthalenyl)propanoate
IUPAC Name:hexadecyl(trimethyl)azanium; 2-(6-methoxynaphthalen-2-yl)propanoate
Traditional Name:cetyl(trimethyl)ammonium; 2-(6-methoxy-2-naphthyl)propionate
Formula: C33H55NO3
MolecularWeight: 513.7947
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C.CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-]


InChI

InChI=1S/C19H42N.C14H14O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h5-19H2,1-4H3;3-9H,1-2H3,(H,15,16)/q+1;/p-1


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