N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-1-ethyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-1-ethyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-1-ethyl-pyridin-1-ium-4-carboxamide CAS Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-1-ethyl-4-pyridin-1-iumcarboxamide IUPAC Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-1-ethylpyridin-1-ium-4-carboxamide Traditional Name: N-(3-tert-butyl-4-cetyloxy-benzyl)-1-ethyl-pyridin-1-ium-4-carboxamide Formula: C35H57N2O2+ MolecularWeight: 537.83928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H56N2O2/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-27-39-33-22-21-30(28-32(33)35(3,4)5)29-36-34(38)31-23-25-37(7-2)26-24-31/h21-26,28H,6-20,27,29H2,1-5H3/p+1