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

Systemtic Name: 2-(3-chloranyl-4-dodecoxy-phenyl)-N-[(1-methylpyridin-1-ium-2-yl)methyl]ethanamide Openeye Name: 2-(3-chloro-4-dodecoxy-phenyl)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide CAS Name: 2-(3-chloro-4-dodecoxyphenyl)-N-[(1-methyl-2-pyridin-1-iumyl)methyl]acetamide IUPAC Name: 2-(3-chloro-4-dodecoxyphenyl)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide Traditional Name: 2-(3-chloro-4-lauryloxy-phenyl)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide Formula: C27H40ClN2O2+ MolecularWeight: 460.0717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39ClN2O2/c1-3-4-5-6-7-8-9-10-11-14-19-32-26-17-16-23(20-25(26)28)21-27(31)29-22-24-15-12-13-18-30(24)2/h12-13,15-18,20H,3-11,14,19,21-22H2,1-2H3/p+1