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

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

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1Cl)C(=O)NCC2=CC=CC=[N+]2CCC.[I-]

InChI

InChI=1S/C30H45ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-17-24-35-28-21-18-20-27(29(28)31)30(34)32-25-26-19-15-16-23-33(26)22-4-2;/h15-16,18-21,23H,3-14,17,22,24-25H2,1-2H3;1H