N-[(1-ethylpyridin-1-ium-4-yl)methyl]-3-methoxy-4-tetradecoxy-benzamide iodide

Systemtic Name: N-[(1-ethylpyridin-1-ium-4-yl)methyl]-3-methoxy-4-tetradecoxy-benzamide iodide Openeye Name: N-[(1-ethylpyridin-1-ium-4-yl)methyl]-3-methoxy-4-tetradecoxy-benzamide iodide CAS Name: N-[(1-ethyl-4-pyridin-1-iumyl)methyl]-3-methoxy-4-tetradecoxybenzamide iodide IUPAC Name: N-[(1-ethylpyridin-1-ium-4-yl)methyl]-3-methoxy-4-tetradecoxybenzamide iodide Traditional Name: N-[(1-ethylpyridin-1-ium-4-yl)methyl]-3-methoxy-4-myristyloxy-benzamide iodide Formula: C30H47IN2O3 MolecularWeight: 610.61025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H46N2O3.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-23-35-28-18-17-27(24-29(28)34-3)30(33)31-25-26-19-21-32(5-2)22-20-26;/h17-22,24H,4-16,23,25H2,1-3H3;1H