4-dodecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide

Systemtic Name: 4-dodecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide Openeye Name: 4-dodecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide CAS Name: 4-dodecoxy-3-methoxy-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzamide IUPAC Name: 4-dodecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide Traditional Name: 4-lauryloxy-3-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide Formula: C27H41N2O3+ MolecularWeight: 441.62604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=[N+]2C)OC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=[N+]2C)OC

InChI

InChI=1S/C27H40N2O3/c1-4-5-6-7-8-9-10-11-12-15-20-32-25-18-17-23(21-26(25)31-3)27(30)28-22-24-16-13-14-19-29(24)2/h13-14,16-19,21H,4-12,15,20,22H2,1-3H3/p+1