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

Systemtic Name: 3-chloranyl-4-dodecoxy-N-(2-methoxyphenyl)carbonyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Openeye Name: 3-chloro-4-dodecoxy-N-(2-methoxybenzoyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide CAS Name: 3-chloro-4-dodecoxy-N-[(2-methoxyphenyl)-oxomethyl]-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzamide IUPAC Name: 3-chloro-4-dodecoxy-N-(2-methoxybenzoyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Traditional Name: 3-chloro-4-lauryloxy-N-o-anisoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Formula: C36H48ClN2O4+ MolecularWeight: 608.23032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3OC)Cl

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3OC)Cl

InChI

InChI=1S/C36H48ClN2O4/c1-4-6-7-8-9-10-11-12-13-18-26-43-34-23-22-29(27-32(34)37)35(40)39(28-30-19-16-17-25-38(30)24-5-2)36(41)31-20-14-15-21-33(31)42-3/h14-17,19-23,25,27H,4-13,18,24,26,28H2,1-3H3/q+1