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

Systemtic Name: N-[(3-chloranyl-4-dodecoxy-phenyl)methyl]-2-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: N-[(3-chloro-4-dodecoxy-phenyl)methyl]-2-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide CAS Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-2-methoxy-N-[(1-propyl-3-pyridin-1-iumyl)methyl]benzamide IUPAC Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-2-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: N-(3-chloro-4-lauryloxy-benzyl)-2-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide Formula: C36H50ClN2O3+ MolecularWeight: 594.2468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CCC)C(=O)C3=CC=CC=C3OC)Cl

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CCC)C(=O)C3=CC=CC=C3OC)Cl

InChI

InChI=1S/C36H50ClN2O3/c1-4-6-7-8-9-10-11-12-13-16-25-42-35-22-21-30(26-33(35)37)28-39(29-31-18-17-24-38(27-31)23-5-2)36(40)32-19-14-15-20-34(32)41-3/h14-15,17-22,24,26-27H,4-13,16,23,25,28-29H2,1-3H3/q+1