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

Systemtic Name: N-ethanoyl-4-hexadecoxy-3-methoxy-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]benzamide Openeye Name: N-acetyl-4-hexadecoxy-3-methoxy-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]benzamide CAS Name: N-acetyl-4-hexadecoxy-3-methoxy-N-[3-(1-methyl-2-pyridin-1-iumyl)propyl]benzamide IUPAC Name: N-acetyl-4-hexadecoxy-3-methoxy-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]benzamide Traditional Name: N-acetyl-4-cetyloxy-3-methoxy-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]benzamide Formula: C35H55N2O4+ MolecularWeight: 567.8222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H55N2O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-41-33-25-24-31(29-34(33)40-4)35(39)37(30(2)38)27-21-23-32-22-18-19-26-36(32)3/h18-19,22,24-26,29H,5-17,20-21,23,27-28H2,1-4H3/q+1