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

Systemtic Name: N-(3-chloranyl-4-dodecoxy-phenyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]ethanamide Openeye Name: N-(3-chloro-4-dodecoxy-phenyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide CAS Name: N-(3-chloro-4-dodecoxyphenyl)-N-[(1-propyl-2-pyridin-1-iumyl)methyl]acetamide IUPAC Name: N-(3-chloro-4-dodecoxyphenyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide Traditional Name: N-(3-chloro-4-lauryloxy-phenyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide Formula: C29H44ClN2O2+ MolecularWeight: 488.12486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)N(CC2=CC=CC=[N+]2CCC)C(=O)C)Cl

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)N(CC2=CC=CC=[N+]2CCC)C(=O)C)Cl

InChI

InChI=1S/C29H44ClN2O2/c1-4-6-7-8-9-10-11-12-13-16-22-34-29-19-18-26(23-28(29)30)32(25(3)33)24-27-17-14-15-21-31(27)20-5-2/h14-15,17-19,21,23H,4-13,16,20,22,24H2,1-3H3/q+1