4-hexadecoxy-2-methyl-N-(phenylcarbonyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide

Systemtic Name: 4-hexadecoxy-2-methyl-N-(phenylcarbonyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Openeye Name: N-benzoyl-4-hexadecoxy-2-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide CAS Name: N-benzoyl-4-hexadecoxy-2-methyl-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzamide IUPAC Name: N-benzoyl-4-hexadecoxy-2-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Traditional Name: N-benzoyl-4-cetyloxy-2-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Formula: C40H57N2O3+ MolecularWeight: 613.89218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C40H57N2O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-23-31-45-37-27-28-38(34(3)32-37)40(44)42(39(43)35-24-19-18-20-25-35)33-36-26-21-22-30-41(36)29-5-2/h18-22,24-28,30,32H,4-17,23,29,31,33H2,1-3H3/q+1