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

Systemtic Name: 3-chloranyl-4-dodecoxy-N-(phenylcarbonyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Openeye Name: N-benzoyl-3-chloro-4-dodecoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide CAS Name: N-benzoyl-3-chloro-4-dodecoxy-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzamide IUPAC Name: N-benzoyl-3-chloro-4-dodecoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Traditional Name: N-benzoyl-3-chloro-4-lauryloxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Formula: C35H46ClN2O3+ MolecularWeight: 578.20434

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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=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C35H46ClN2O3/c1-3-5-6-7-8-9-10-11-12-18-26-41-33-23-22-30(27-32(33)36)35(40)38(34(39)29-19-14-13-15-20-29)28-31-21-16-17-25-37(31)24-4-2/h13-17,19-23,25,27H,3-12,18,24,26,28H2,1-2H3/q+1