N-[1-(3-chloranyl-4-dodecoxy-phenyl)propyl]-1-methyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[1-(3-chloranyl-4-dodecoxy-phenyl)propyl]-1-methyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[1-(3-chloro-4-dodecoxy-phenyl)propyl]-1-methyl-pyridin-1-ium-4-carboxamide CAS Name: N-[1-(3-chloro-4-dodecoxyphenyl)propyl]-1-methyl-4-pyridin-1-iumcarboxamide IUPAC Name: N-[1-(3-chloro-4-dodecoxyphenyl)propyl]-1-methylpyridin-1-ium-4-carboxamide Traditional Name: N-[1-(3-chloro-4-lauryloxy-phenyl)propyl]-1-methyl-pyridin-1-ium-4-carboxamide Formula: C28H42ClN2O2+ MolecularWeight: 474.09828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41ClN2O2/c1-4-6-7-8-9-10-11-12-13-14-21-33-27-16-15-24(22-25(27)29)26(5-2)30-28(32)23-17-19-31(3)20-18-23/h15-20,22,26H,4-14,21H2,1-3H3/p+1