N-ethanoyl-4-methoxy-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]-3-tetradecoxy-benzamide iodide

Systemtic Name: N-ethanoyl-4-methoxy-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]-3-tetradecoxy-benzamide iodide Openeye Name: N-acetyl-4-methoxy-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]-3-tetradecoxy-benzamide iodide CAS Name: N-acetyl-4-methoxy-N-[3-(1-propyl-2-pyridin-1-iumyl)propyl]-3-tetradecoxybenzamide iodide IUPAC Name: N-acetyl-4-methoxy-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]-3-tetradecoxybenzamide iodide Traditional Name: N-acetyl-4-methoxy-3-myristyloxy-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]benzamide iodide Formula: C35H55IN2O4 MolecularWeight: 694.72667

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)N(CCCC2=CC=CC=[N+]2CCC)C(=O)C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)N(CCCC2=CC=CC=[N+]2CCC)C(=O)C)OC.[I-]

InChI

InChI=1S/C35H55N2O4.HI/c1-5-7-8-9-10-11-12-13-14-15-16-19-28-41-34-29-31(23-24-33(34)40-4)35(39)37(30(3)38)27-20-22-32-21-17-18-26-36(32)25-6-2;/h17-18,21,23-24,26,29H,5-16,19-20,22,25,27-28H2,1-4H3;1H/q+1;/p-1