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

Systemtic Name: N-[1-(3-tert-butyl-4-hexadecoxy-phenyl)ethyl]-1-methyl-pyridin-1-ium-2-carboxamide Openeye Name: N-[1-(3-tert-butyl-4-hexadecoxy-phenyl)ethyl]-1-methyl-pyridin-1-ium-2-carboxamide CAS Name: N-[1-(3-tert-butyl-4-hexadecoxyphenyl)ethyl]-1-methyl-2-pyridin-1-iumcarboxamide IUPAC Name: N-[1-(3-tert-butyl-4-hexadecoxyphenyl)ethyl]-1-methylpyridin-1-ium-2-carboxamide Traditional Name: N-[1-(3-tert-butyl-4-cetyloxy-phenyl)ethyl]-1-methyl-pyridin-1-ium-2-carboxamide Formula: C35H57N2O2+ MolecularWeight: 537.83928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H56N2O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27-39-33-25-24-30(28-31(33)35(3,4)5)29(2)36-34(38)32-23-20-21-26-37(32)6/h20-21,23-26,28-29H,7-19,22,27H2,1-6H3/p+1