4-dodecoxy-3-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: 4-dodecoxy-3-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 4-dodecoxy-3-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide CAS Name: 4-dodecoxy-3-methoxy-N-[(1-propyl-3-pyridin-1-iumyl)methyl]benzamide IUPAC Name: 4-dodecoxy-3-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 4-lauryloxy-3-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide Formula: C29H45N2O3+ MolecularWeight: 469.6792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=C[N+](=CC=C2)CCC)OC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=C[N+](=CC=C2)CCC)OC

InChI

InChI=1S/C29H44N2O3/c1-4-6-7-8-9-10-11-12-13-14-21-34-27-18-17-26(22-28(27)33-3)29(32)30-23-25-16-15-20-31(24-25)19-5-2/h15-18,20,22,24H,4-14,19,21,23H2,1-3H3/p+1