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

Systemtic Name: 2-chloranyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]-3-tetradecoxy-benzamide iodide Openeye Name: 2-chloro-N-[(1-propylpyridin-1-ium-4-yl)methyl]-3-tetradecoxy-benzamide iodide CAS Name: 2-chloro-N-[(1-propyl-4-pyridin-1-iumyl)methyl]-3-tetradecoxybenzamide iodide IUPAC Name: 2-chloro-N-[(1-propylpyridin-1-ium-4-yl)methyl]-3-tetradecoxybenzamide iodide Traditional Name: 2-chloro-3-myristyloxy-N-[(1-propylpyridin-1-ium-4-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=CC=[N+](C=C2)CCC.[I-]

Isomeric SMILES

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

InChI

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