N-ethanoyl-2-(4-hexadecoxyphenoxy)-N-[(1-propylpyridin-1-ium-2-yl)methyl]propanamide

Systemtic Name: N-ethanoyl-2-(4-hexadecoxyphenoxy)-N-[(1-propylpyridin-1-ium-2-yl)methyl]propanamide Openeye Name: N-acetyl-2-(4-hexadecoxyphenoxy)-N-[(1-propylpyridin-1-ium-2-yl)methyl]propanamide CAS Name: N-acetyl-2-(4-hexadecoxyphenoxy)-N-[(1-propyl-2-pyridin-1-iumyl)methyl]propanamide IUPAC Name: N-acetyl-2-(4-hexadecoxyphenoxy)-N-[(1-propylpyridin-1-ium-2-yl)methyl]propanamide Traditional Name: N-acetyl-2-(4-cetyloxyphenoxy)-N-[(1-propylpyridin-1-ium-2-yl)methyl]propionamide Formula: C36H57N2O4+ MolecularWeight: 581.84878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OC(C)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OC(C)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C

InChI

InChI=1S/C36H57N2O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-29-41-34-23-25-35(26-24-34)42-31(3)36(40)38(32(4)39)30-33-22-19-20-28-37(33)27-6-2/h19-20,22-26,28,31H,5-18,21,27,29-30H2,1-4H3/q+1