2-chloranyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide iodide

Systemtic Name: 2-chloranyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide iodide Openeye Name: 2-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide iodide CAS Name: 2-chloro-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-4-tetradecoxybenzamide iodide IUPAC Name: 2-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-tetradecoxybenzamide iodide Traditional Name: 2-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-myristyloxy-benzamide iodide Formula: C29H44ClIN2O2 MolecularWeight: 615.02933

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)NCC2=CC=CC=[N+]2CC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)NCC2=CC=CC=[N+]2CC)Cl.[I-]

InChI

InChI=1S/C29H43ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-17-22-34-26-19-20-27(28(30)23-26)29(33)31-24-25-18-15-16-21-32(25)4-2;/h15-16,18-21,23H,3-14,17,22,24H2,1-2H3;1H