dimethyl-(naphthalen-2-ylmethyl)-octadecyl-azanium

Systemtic Name: dimethyl-(naphthalen-2-ylmethyl)-octadecyl-azanium Openeye Name: dimethyl-(2-naphthylmethyl)-octadecyl-ammonium CAS Name: dimethyl-(2-naphthalenylmethyl)-octadecylammonium IUPAC Name: dimethyl-(naphthalen-2-ylmethyl)-octadecylazanium Traditional Name: dimethyl-(2-naphthylmethyl)-stearyl-ammonium Formula: C31H52N+ MolecularWeight: 438.75128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C31H52N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-32(2,3)28-29-24-25-30-22-19-20-23-31(30)27-29/h19-20,22-25,27H,4-18,21,26,28H2,1-3H3/q+1