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

Systemtic Name: 4-dodecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 4-dodecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide CAS Name: 4-dodecoxy-3-methoxy-N-[(1-methyl-3-pyridin-1-iumyl)methyl]benzamide IUPAC Name: 4-dodecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 4-lauryloxy-3-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide Formula: C27H41N2O3+ MolecularWeight: 441.62604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O3/c1-4-5-6-7-8-9-10-11-12-13-19-32-25-17-16-24(20-26(25)31-3)27(30)28-21-23-15-14-18-29(2)22-23/h14-18,20,22H,4-13,19,21H2,1-3H3/p+1