2-(3-tert-butyl-4-hexadecoxy-phenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=CC=[N+](C=C2)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=CC=[N+](C=C2)C)C(C)(C)C

InChI

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