3-chloranyl-N-ethanoyl-N-[3-(1-ethylpyridin-1-ium-2-yl)propyl]-4-hexadecoxy-benzamide iodide

Systemtic Name: 3-chloranyl-N-ethanoyl-N-[3-(1-ethylpyridin-1-ium-2-yl)propyl]-4-hexadecoxy-benzamide iodide Openeye Name: N-acetyl-3-chloro-N-[3-(1-ethylpyridin-1-ium-2-yl)propyl]-4-hexadecoxy-benzamide iodide CAS Name: N-acetyl-3-chloro-N-[3-(1-ethyl-2-pyridin-1-iumyl)propyl]-4-hexadecoxybenzamide iodide IUPAC Name: N-acetyl-3-chloro-N-[3-(1-ethylpyridin-1-ium-2-yl)propyl]-4-hexadecoxybenzamide iodide Traditional Name: N-acetyl-4-cetyloxy-3-chloro-N-[3-(1-ethylpyridin-1-ium-2-yl)propyl]benzamide iodide Formula: C35H54ClIN2O3 MolecularWeight: 713.17233

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2CC)C(=O)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2CC)C(=O)C)Cl.[I-]

InChI

InChI=1S/C35H54ClN2O3.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-28-41-34-25-24-31(29-33(34)36)35(40)38(30(3)39)27-21-23-32-22-18-19-26-37(32)5-2;/h18-19,22,24-26,29H,4-17,20-21,23,27-28H2,1-3H3;1H/q+1;/p-1