N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-N-[3-(pyridin-1-ium-3-ylmethyl)phenyl]ethanamide bromide

Systemtic Name: N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-N-[3-(pyridin-1-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: N-[(3-chloro-4-hexadecoxy-phenyl)methyl]-N-[3-(pyridin-1-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[3-(3-pyridin-1-iumylmethyl)phenyl]acetamide bromide IUPAC Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[3-(pyridin-1-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: N-(4-cetyloxy-3-chloro-benzyl)-N-[3-(pyridin-1-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C37H52BrClN2O2 MolecularWeight: 672.17798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC(=C2)CC3=C[NH+]=CC=C3)C(=O)C)Cl.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC(=C2)CC3=C[NH+]=CC=C3)C(=O)C)Cl.[Br-]

InChI

InChI=1S/C37H51ClN2O2.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-42-37-23-22-34(28-36(37)38)30-40(31(2)41)35-21-17-19-32(27-35)26-33-20-18-24-39-29-33;/h17-24,27-29H,3-16,25-26,30H2,1-2H3;1H