2-chloranyl-4-dodecoxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide

Systemtic Name: 2-chloranyl-4-dodecoxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide Openeye Name: 2-chloro-4-dodecoxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide CAS Name: 2-chloro-4-dodecoxy-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]benzamide IUPAC Name: 2-chloro-4-dodecoxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide Traditional Name: 2-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-lauryloxy-benzamide Formula: C27H40ClN2O2+ MolecularWeight: 460.0717

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39ClN2O2/c1-3-5-6-7-8-9-10-11-12-15-20-32-24-17-18-25(26(28)21-24)27(31)29-22-23-16-13-14-19-30(23)4-2/h13-14,16-19,21H,3-12,15,20,22H2,1-2H3/p+1