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

Systemtic Name: 3-chloranyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]-4-tetradecoxy-benzamide iodide Openeye Name: 3-chloro-N-[(1-propylpyridin-1-ium-4-yl)methyl]-4-tetradecoxy-benzamide iodide CAS Name: 3-chloro-N-[(1-propyl-4-pyridin-1-iumyl)methyl]-4-tetradecoxybenzamide iodide IUPAC Name: 3-chloro-N-[(1-propylpyridin-1-ium-4-yl)methyl]-4-tetradecoxybenzamide iodide Traditional Name: 3-chloro-4-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=C(C=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)CCC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)CCC)Cl.[I-]

InChI

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