N-ethanoyl-4-hexadecoxy-3-methoxy-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]benzamide

Systemtic Name: N-ethanoyl-4-hexadecoxy-3-methoxy-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]benzamide Openeye Name: N-acetyl-4-hexadecoxy-3-methoxy-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]benzamide CAS Name: N-acetyl-4-hexadecoxy-3-methoxy-N-[3-(1-propyl-2-pyridin-1-iumyl)propyl]benzamide IUPAC Name: N-acetyl-4-hexadecoxy-3-methoxy-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]benzamide Traditional Name: N-acetyl-4-cetyloxy-3-methoxy-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]benzamide Formula: C37H59N2O4+ MolecularWeight: 595.87536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H59N2O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-30-43-35-26-25-33(31-36(35)42-4)37(41)39(32(3)40)29-22-24-34-23-19-20-28-38(34)27-6-2/h19-20,23,25-26,28,31H,5-18,21-22,24,27,29-30H2,1-4H3/q+1