N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide CAS Name: N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-N-[(1-methyl-3-pyridin-1-iumyl)methyl]benzamide IUPAC Name: N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: N-(4-cetyloxy-3-methoxy-benzyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide Formula: C38H55N2O3+ MolecularWeight: 587.8549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)C)C(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)C)C(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C38H55N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-28-43-36-26-25-33(29-37(36)42-3)31-40(32-34-22-21-27-39(2)30-34)38(41)35-23-18-17-19-24-35/h17-19,21-27,29-30H,4-16,20,28,31-32H2,1-3H3/q+1