N-[(3-methoxy-4-tetradecoxy-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[(3-methoxy-4-tetradecoxy-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[(3-methoxy-4-tetradecoxy-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide CAS Name: N-[(3-methoxy-4-tetradecoxyphenyl)methyl]-1-propyl-4-pyridin-1-iumcarboxamide IUPAC Name: N-[(3-methoxy-4-tetradecoxyphenyl)methyl]-1-propylpyridin-1-ium-4-carboxamide Traditional Name: N-(3-methoxy-4-myristyloxy-benzyl)-1-propyl-pyridin-1-ium-4-carboxamide Formula: C31H49N2O3+ MolecularWeight: 497.73236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=[N+](C=C2)CCC)OC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=[N+](C=C2)CCC)OC

InChI

InChI=1S/C31H48N2O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-24-36-29-18-17-27(25-30(29)35-3)26-32-31(34)28-19-22-33(21-5-2)23-20-28/h17-20,22-23,25H,4-16,21,24,26H2,1-3H3/p+1