3-ethyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-4-hexadecoxy-benzamide

Systemtic Name: 3-ethyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-4-hexadecoxy-benzamide Openeye Name: 3-ethyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-4-hexadecoxy-benzamide CAS Name: 3-ethyl-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]-4-hexadecoxybenzamide IUPAC Name: 3-ethyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-4-hexadecoxybenzamide Traditional Name: 4-cetyloxy-3-ethyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide Formula: C33H53N2O2+ MolecularWeight: 509.78612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H52N2O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-25-37-32-23-22-31(26-30(32)5-2)33(36)34-27-29-21-20-24-35(6-3)28-29/h20-24,26,28H,4-19,25,27H2,1-3H3/p+1