3-chloranyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-N-(2-methoxyphenyl)carbonyl-benzamide

Systemtic Name: 3-chloranyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-N-(2-methoxyphenyl)carbonyl-benzamide Openeye Name: 3-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-N-(2-methoxybenzoyl)benzamide CAS Name: 3-chloro-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-4-hexadecoxy-N-[(2-methoxyphenyl)-oxomethyl]benzamide IUPAC Name: 3-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-N-(2-methoxybenzoyl)benzamide Traditional Name: 4-cetyloxy-3-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-o-anisoyl-benzamide Formula: C39H54ClN2O4+ MolecularWeight: 650.31006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3OC)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3OC)Cl

InChI

InChI=1S/C39H54ClN2O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-22-29-46-37-27-26-32(30-35(37)40)38(43)42(31-33-23-20-21-28-41(33)5-2)39(44)34-24-18-19-25-36(34)45-3/h18-21,23-28,30H,4-17,22,29,31H2,1-3H3/q+1