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

Systemtic Name: N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[(3-chloro-4-hexadecoxy-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-4-carboxamide CAS Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-phenyl-1-propyl-4-pyridin-1-iumcarboxamide IUPAC Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-phenyl-1-propylpyridin-1-ium-4-carboxamide Traditional Name: N-(4-cetyloxy-3-chloro-benzyl)-N-phenyl-1-propyl-pyridin-1-ium-4-carboxamide Formula: C38H54ClN2O2+ MolecularWeight: 606.30056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=[N+](C=C3)CCC)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=[N+](C=C3)CCC)Cl

InChI

InChI=1S/C38H54ClN2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-30-43-37-24-23-33(31-36(37)39)32-41(35-21-18-17-19-22-35)38(42)34-25-28-40(27-4-2)29-26-34/h17-19,21-26,28-29,31H,3-16,20,27,30,32H2,1-2H3/q+1