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

Systemtic Name: 4-hexadecoxy-2-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 4-hexadecoxy-2-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide CAS Name: 4-hexadecoxy-2-methoxy-N-[(1-propyl-3-pyridin-1-iumyl)methyl]benzamide IUPAC Name: 4-hexadecoxy-2-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 4-cetyloxy-2-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide Formula: C33H53N2O3+ MolecularWeight: 525.78552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)NCC2=C[N+](=CC=C2)CCC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)NCC2=C[N+](=CC=C2)CCC)OC

InChI

InChI=1S/C33H52N2O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-25-38-30-21-22-31(32(26-30)37-3)33(36)34-27-29-20-19-24-35(28-29)23-5-2/h19-22,24,26,28H,4-18,23,25,27H2,1-3H3/p+1