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

Systemtic Name: N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: N-[(3-chloro-4-hexadecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide CAS Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]acetamide IUPAC Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: N-(4-cetyloxy-3-chloro-benzyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide Formula: C33H52ClN2O2+ MolecularWeight: 544.23118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CC)C(=O)C)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CC)C(=O)C)Cl

InChI

InChI=1S/C33H52ClN2O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-24-38-33-22-21-30(25-32(33)34)27-36(29(3)37)28-31-20-19-23-35(5-2)26-31/h19-23,25-26H,4-18,24,27-28H2,1-3H3/q+1