N-[(3-chloranyl-4-dodecoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-2-carboxamide

Systemtic Name: N-[(3-chloranyl-4-dodecoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-2-carboxamide Openeye Name: N-[(3-chloro-4-dodecoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-2-carboxamide CAS Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-1-ethyl-N-phenyl-2-pyridin-1-iumcarboxamide IUPAC Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-1-ethyl-N-phenylpyridin-1-ium-2-carboxamide Traditional Name: N-(3-chloro-4-lauryloxy-benzyl)-1-ethyl-N-phenyl-pyridin-1-ium-2-carboxamide Formula: C33H44ClN2O2+ MolecularWeight: 536.16766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3CC)Cl

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3CC)Cl

InChI

InChI=1S/C33H44ClN2O2/c1-3-5-6-7-8-9-10-11-12-18-25-38-32-23-22-28(26-30(32)34)27-36(29-19-14-13-15-20-29)33(37)31-21-16-17-24-35(31)4-2/h13-17,19-24,26H,3-12,18,25,27H2,1-2H3/q+1