3-chloranyl-4-hexadecoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide

Systemtic Name: 3-chloranyl-4-hexadecoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide Openeye Name: 3-chloro-4-hexadecoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide CAS Name: 3-chloro-4-hexadecoxy-N-[(1-methyl-4-pyridin-1-iumyl)methyl]benzamide IUPAC Name: 3-chloro-4-hexadecoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide Traditional Name: 4-cetyloxy-3-chloro-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide Formula: C30H46ClN2O2+ MolecularWeight: 502.15144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H45ClN2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-35-29-18-17-27(24-28(29)31)30(34)32-25-26-19-21-33(2)22-20-26/h17-22,24H,3-16,23,25H2,1-2H3/p+1