N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3-methoxy-N-(2-methoxyphenyl)carbonyl-4-tetradecoxy-benzamide iodide

Systemtic Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3-methoxy-N-(2-methoxyphenyl)carbonyl-4-tetradecoxy-benzamide iodide Openeye Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3-methoxy-N-(2-methoxybenzoyl)-4-tetradecoxy-benzamide iodide CAS Name: N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-3-methoxy-N-[(2-methoxyphenyl)-oxomethyl]-4-tetradecoxybenzamide iodide IUPAC Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3-methoxy-N-(2-methoxybenzoyl)-4-tetradecoxybenzamide iodide Traditional Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3-methoxy-4-myristyloxy-N-o-anisoyl-benzamide iodide Formula: C38H53IN2O5 MolecularWeight: 744.74229

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3OC)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3OC)OC.[I-]

InChI

InChI=1S/C38H53N2O5.HI/c1-5-7-8-9-10-11-12-13-14-15-16-21-28-45-35-26-25-31(29-36(35)44-4)37(41)40(30-32-22-19-20-27-39(32)6-2)38(42)33-23-17-18-24-34(33)43-3;/h17-20,22-27,29H,5-16,21,28,30H2,1-4H3;1H/q+1;/p-1