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

Systemtic Name: 4-hexadecoxy-2-methoxy-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide iodide Openeye Name: 4-hexadecoxy-2-methoxy-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide iodide CAS Name: 4-hexadecoxy-2-methoxy-N-[(1-propyl-4-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 4-hexadecoxy-2-methoxy-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide iodide Traditional Name: 4-cetyloxy-2-methoxy-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide iodide Formula: C33H53IN2O3 MolecularWeight: 652.68999

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)CCC)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)CCC)OC.[I-]

InChI

InChI=1S/C33H52N2O3.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-26-38-30-19-20-31(32(27-30)37-3)33(36)34-28-29-21-24-35(23-5-2)25-22-29;/h19-22,24-25,27H,4-18,23,26,28H2,1-3H3;1H