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

Systemtic Name: 2-chloranyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]-3-tetradecoxy-benzamide iodide Openeye Name: 2-chloro-N-[(1-propylpyridin-1-ium-3-yl)methyl]-3-tetradecoxy-benzamide iodide CAS Name: 2-chloro-N-[(1-propyl-3-pyridin-1-iumyl)methyl]-3-tetradecoxybenzamide iodide IUPAC Name: 2-chloro-N-[(1-propylpyridin-1-ium-3-yl)methyl]-3-tetradecoxybenzamide iodide Traditional Name: 2-chloro-3-myristyloxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide Formula: C30H46ClIN2O2 MolecularWeight: 629.05591

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1Cl)C(=O)NCC2=C[N+](=CC=C2)CCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1Cl)C(=O)NCC2=C[N+](=CC=C2)CCC.[I-]

InChI

InChI=1S/C30H45ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-23-35-28-20-16-19-27(29(28)31)30(34)32-24-26-18-17-22-33(25-26)21-4-2;/h16-20,22,25H,3-15,21,23-24H2,1-2H3;1H