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

Systemtic Name: 3-chloranyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-(phenylcarbonyl)-4-tetradecoxy-benzamide iodide Openeye Name: N-benzoyl-3-chloro-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide iodide CAS Name: N-benzoyl-3-chloro-N-[(1-methyl-2-pyridin-1-iumyl)methyl]-4-tetradecoxybenzamide iodide IUPAC Name: N-benzoyl-3-chloro-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-tetradecoxybenzamide iodide Traditional Name: N-benzoyl-3-chloro-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-myristyloxy-benzamide iodide Formula: C35H46ClIN2O3 MolecularWeight: 705.10881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2C)C(=O)C3=CC=CC=C3)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2C)C(=O)C3=CC=CC=C3)Cl.[I-]

InChI

InChI=1S/C35H46ClN2O3.HI/c1-3-4-5-6-7-8-9-10-11-12-13-19-26-41-33-24-23-30(27-32(33)36)35(40)38(28-31-22-17-18-25-37(31)2)34(39)29-20-15-14-16-21-29;/h14-18,20-25,27H,3-13,19,26,28H2,1-2H3;1H/q+1;/p-1