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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44ClN2O2/c1-4-6-7-8-9-10-11-12-13-14-21-34-29-16-15-27(22-28(29)30)24-32(25(3)33)23-26-17-19-31(5-2)20-18-26/h15-20,22H,4-14,21,23-24H2,1-3H3/q+1