N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-2-methoxy-benzamide

Systemtic Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-2-methoxy-benzamide Openeye Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-2-methoxy-benzamide CAS Name: N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-4-hexadecoxy-2-methoxybenzamide IUPAC Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-hexadecoxy-2-methoxybenzamide Traditional Name: 4-cetyloxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-methoxy-benzamide Formula: C32H51N2O3+ MolecularWeight: 511.75894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H50N2O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-25-37-29-22-23-30(31(26-29)36-3)32(35)33-27-28-21-18-19-24-34(28)5-2/h18-19,21-24,26H,4-17,20,25,27H2,1-3H3/p+1