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

Systemtic Name: 3-chloranyl-4-dodecoxy-N-ethanoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Openeye Name: N-acetyl-3-chloro-4-dodecoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide CAS Name: N-acetyl-3-chloro-4-dodecoxy-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzamide IUPAC Name: N-acetyl-3-chloro-4-dodecoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Traditional Name: N-acetyl-3-chloro-4-lauryloxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Formula: C30H44ClN2O3+ MolecularWeight: 516.13496

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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)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C30H44ClN2O3/c1-4-6-7-8-9-10-11-12-13-16-22-36-29-19-18-26(23-28(29)31)30(35)33(25(3)34)24-27-17-14-15-21-32(27)20-5-2/h14-15,17-19,21,23H,4-13,16,20,22,24H2,1-3H3/q+1