3-tert-butyl-N-ethanoyl-N-[3-(1-ethylpyridin-1-ium-2-yl)propyl]-4-hexadecoxy-benzamide

Systemtic Name: 3-tert-butyl-N-ethanoyl-N-[3-(1-ethylpyridin-1-ium-2-yl)propyl]-4-hexadecoxy-benzamide Openeye Name: N-acetyl-3-tert-butyl-N-[3-(1-ethylpyridin-1-ium-2-yl)propyl]-4-hexadecoxy-benzamide CAS Name: N-acetyl-3-tert-butyl-N-[3-(1-ethyl-2-pyridin-1-iumyl)propyl]-4-hexadecoxybenzamide IUPAC Name: N-acetyl-3-tert-butyl-N-[3-(1-ethylpyridin-1-ium-2-yl)propyl]-4-hexadecoxybenzamide Traditional Name: N-acetyl-3-tert-butyl-4-cetyloxy-N-[3-(1-ethylpyridin-1-ium-2-yl)propyl]benzamide Formula: C39H63N2O3+ MolecularWeight: 607.92912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2CC)C(=O)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2CC)C(=O)C)C(C)(C)C

InChI

InChI=1S/C39H63N2O3/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-23-31-44-37-28-27-34(32-36(37)39(4,5)6)38(43)41(33(3)42)30-24-26-35-25-21-22-29-40(35)8-2/h21-22,25,27-29,32H,7-20,23-24,26,30-31H2,1-6H3/q+1