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

Systemtic Name: 3-chloranyl-4-dodecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide Openeye Name: 3-chloro-4-dodecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide CAS Name: 3-chloro-4-dodecoxy-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzamide IUPAC Name: 3-chloro-4-dodecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide Traditional Name: 3-chloro-4-lauryloxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide Formula: C26H38ClN2O2+ MolecularWeight: 446.04512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37ClN2O2/c1-3-4-5-6-7-8-9-10-11-14-19-31-25-17-16-22(20-24(25)27)26(30)28-21-23-15-12-13-18-29(23)2/h12-13,15-18,20H,3-11,14,19,21H2,1-2H3/p+1