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

Systemtic Name: N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide CAS Name: N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-N-phenyl-1-propyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-N-phenyl-1-propylpyridin-1-ium-3-carboxamide Traditional Name: N-(4-cetyloxy-3-methoxy-benzyl)-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide Formula: C39H57N2O3+ MolecularWeight: 601.88148

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C39H57N2O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-30-44-37-27-26-34(31-38(37)43-3)32-41(36-24-19-18-20-25-36)39(42)35-23-22-29-40(33-35)28-5-2/h18-20,22-27,29,31,33H,4-17,21,28,30,32H2,1-3H3/q+1