N-[1-(3-tert-butyl-4-hexadecoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide

Systemtic Name: N-[1-(3-tert-butyl-4-hexadecoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide Openeye Name: N-[1-(3-tert-butyl-4-hexadecoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide CAS Name: N-[1-(3-tert-butyl-4-hexadecoxyphenyl)ethyl]-1-propyl-2-pyridin-1-iumcarboxamide IUPAC Name: N-[1-(3-tert-butyl-4-hexadecoxyphenyl)ethyl]-1-propylpyridin-1-ium-2-carboxamide Traditional Name: N-[1-(3-tert-butyl-4-cetyloxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide Formula: C37H61N2O2+ MolecularWeight: 565.89244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2CCC)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2CCC)C(C)(C)C

InChI

InChI=1S/C37H60N2O2/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-23-29-41-35-26-25-32(30-33(35)37(4,5)6)31(3)38-36(40)34-24-21-22-28-39(34)27-8-2/h21-22,24-26,28,30-31H,7-20,23,27,29H2,1-6H3/p+1