2-(3-tert-butyl-4-hexadecoxy-phenoxy)-N-ethanoyl-N-[2-(1-propylpyridin-1-ium-2-yl)ethyl]ethanamide

Systemtic Name: 2-(3-tert-butyl-4-hexadecoxy-phenoxy)-N-ethanoyl-N-[2-(1-propylpyridin-1-ium-2-yl)ethyl]ethanamide Openeye Name: N-acetyl-2-(3-tert-butyl-4-hexadecoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-2-yl)ethyl]acetamide CAS Name: N-acetyl-2-(3-tert-butyl-4-hexadecoxyphenoxy)-N-[2-(1-propyl-2-pyridin-1-iumyl)ethyl]acetamide IUPAC Name: N-acetyl-2-(3-tert-butyl-4-hexadecoxyphenoxy)-N-[2-(1-propylpyridin-1-ium-2-yl)ethyl]acetamide Traditional Name: N-acetyl-2-(3-tert-butyl-4-cetyloxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-2-yl)ethyl]acetamide Formula: C40H65N2O4+ MolecularWeight: 637.9551

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CCC2=CC=CC=[N+]2CCC)C(=O)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CCC2=CC=CC=[N+]2CCC)C(=O)C)C(C)(C)C

InChI

InChI=1S/C40H65N2O4/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-23-31-45-38-26-25-36(32-37(38)40(4,5)6)46-33-39(44)42(34(3)43)30-27-35-24-21-22-29-41(35)28-8-2/h21-22,24-26,29,32H,7-20,23,27-28,30-31,33H2,1-6H3/q+1