N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-1-methyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-1-methyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-1-methyl-pyridin-1-ium-3-carboxamide CAS Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-1-methyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-1-methylpyridin-1-ium-3-carboxamide Traditional Name: N-(4-cetyloxy-2-methyl-benzyl)-1-methyl-pyridin-1-ium-3-carboxamide Formula: C31H49N2O2+ MolecularWeight: 481.73296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CNC(=O)C2=C[N+](=CC=C2)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CNC(=O)C2=C[N+](=CC=C2)C)C

InChI

InChI=1S/C31H48N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-35-30-21-20-28(27(2)24-30)25-32-31(34)29-19-18-22-33(3)26-29/h18-22,24,26H,4-17,23,25H2,1-3H3/p+1