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

Systemtic Name: 3-chloranyl-4-dodecoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 3-chloro-4-dodecoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide CAS Name: 3-chloro-4-dodecoxy-N-[(1-propyl-3-pyridin-1-iumyl)methyl]benzamide IUPAC Name: 3-chloro-4-dodecoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 3-chloro-4-lauryloxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide Formula: C28H42ClN2O2+ MolecularWeight: 474.09828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=C[N+](=CC=C2)CCC)Cl

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=C[N+](=CC=C2)CCC)Cl

InChI

InChI=1S/C28H41ClN2O2/c1-3-5-6-7-8-9-10-11-12-13-20-33-27-17-16-25(21-26(27)29)28(32)30-22-24-15-14-19-31(23-24)18-4-2/h14-17,19,21,23H,3-13,18,20,22H2,1-2H3/p+1