3-tert-butyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-benzamide

Systemtic Name: 3-tert-butyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-benzamide Openeye Name: 3-tert-butyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-benzamide CAS Name: 3-tert-butyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-4-hexadecoxybenzamide IUPAC Name: 3-tert-butyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxybenzamide Traditional Name: 3-tert-butyl-4-cetyloxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide Formula: C35H57N2O2+ MolecularWeight: 537.83928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=[N+]2CC)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=[N+]2CC)C(C)(C)C

InChI

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