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

Systemtic Name: N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(3-chloro-4-hexadecoxy-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide CAS Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-phenyl-1-propyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-phenyl-1-propylpyridin-1-ium-3-carboxamide Traditional Name: N-(4-cetyloxy-3-chloro-benzyl)-N-phenyl-1-propyl-pyridin-1-ium-3-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=C[N+](=CC=C3)CCC)Cl

Isomeric SMILES

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

InChI

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