2-(3,4-diheptoxyphenoxy)-N-ethanoyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]ethanamide

Systemtic Name: 2-(3,4-diheptoxyphenoxy)-N-ethanoyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]ethanamide Openeye Name: N-acetyl-2-(3,4-diheptoxyphenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide CAS Name: N-acetyl-2-(3,4-diheptoxyphenoxy)-N-[(1-methyl-2-pyridin-1-iumyl)methyl]acetamide IUPAC Name: N-acetyl-2-(3,4-diheptoxyphenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide Traditional Name: N-acetyl-2-(3,4-diheptoxyphenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide Formula: C31H47N2O5+ MolecularWeight: 527.71528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2C)C(=O)C)OCCCCCCC

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2C)C(=O)C)OCCCCCCC

InChI

InChI=1S/C31H47N2O5/c1-5-7-9-11-15-21-36-29-19-18-28(23-30(29)37-22-16-12-10-8-6-2)38-25-31(35)33(26(3)34)24-27-17-13-14-20-32(27)4/h13-14,17-20,23H,5-12,15-16,21-22,24-25H2,1-4H3/q+1