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

Systemtic Name: 3-chloranyl-4-dodecoxy-N-ethanoyl-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]benzamide Openeye Name: N-acetyl-3-chloro-4-dodecoxy-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]benzamide CAS Name: N-acetyl-3-chloro-4-dodecoxy-N-[3-(1-propyl-2-pyridin-1-iumyl)propyl]benzamide IUPAC Name: N-acetyl-3-chloro-4-dodecoxy-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]benzamide Traditional Name: N-acetyl-3-chloro-4-lauryloxy-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]benzamide Formula: C32H48ClN2O3+ MolecularWeight: 544.18812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2CCC)C(=O)C)Cl

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2CCC)C(=O)C)Cl

InChI

InChI=1S/C32H48ClN2O3/c1-4-6-7-8-9-10-11-12-13-16-25-38-31-21-20-28(26-30(31)33)32(37)35(27(3)36)24-17-19-29-18-14-15-23-34(29)22-5-2/h14-15,18,20-21,23,26H,4-13,16-17,19,22,24-25H2,1-3H3/q+1