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

Systemtic Name: 3-chloranyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide iodide Openeye Name: 3-chloro-N-[(1-propylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide iodide CAS Name: 3-chloro-N-[(1-propyl-2-pyridin-1-iumyl)methyl]-4-tetradecoxybenzamide iodide IUPAC Name: 3-chloro-N-[(1-propylpyridin-1-ium-2-yl)methyl]-4-tetradecoxybenzamide iodide Traditional Name: 3-chloro-4-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=C(C=C(C=C1)C(=O)NCC2=CC=CC=[N+]2CCC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=[N+]2CCC)Cl.[I-]

InChI

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