N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-2-methoxy-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide

Systemtic Name: N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-2-methoxy-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide Openeye Name: N-[(4-hexadecoxy-3-methoxy-phenyl)methyl]-2-methoxy-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide CAS Name: N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-2-methoxy-N-[(1-propyl-4-pyridin-1-iumyl)methyl]benzamide IUPAC Name: N-[(4-hexadecoxy-3-methoxyphenyl)methyl]-2-methoxy-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide Traditional Name: N-(4-cetyloxy-3-methoxy-benzyl)-2-methoxy-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide Formula: C41H61N2O4+ MolecularWeight: 645.93404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)CCC)C(=O)C3=CC=CC=C3OC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=[N+](C=C2)CCC)C(=O)C3=CC=CC=C3OC)OC

InChI

InChI=1S/C41H61N2O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-31-47-39-25-24-36(32-40(39)46-4)34-43(33-35-26-29-42(28-6-2)30-27-35)41(44)37-22-19-20-23-38(37)45-3/h19-20,22-27,29-30,32H,5-18,21,28,31,33-34H2,1-4H3/q+1