2-[2-(pentadecoxycarbonylamino)ethoxy]ethyl N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide

Systemtic Name: 2-[2-(pentadecoxycarbonylamino)ethoxy]ethyl N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: 2-[2-(pentadecoxycarbonylamino)ethoxy]ethyl N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide CAS Name: N-[(1-ethyl-2-pyridin-1-iumyl)methyl]carbamic acid 2-[2-[[oxo(pentadecoxy)methyl]amino]ethoxy]ethyl ester iodide IUPAC Name: 2-[2-(pentadecoxycarbonylamino)ethoxy]ethyl N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Traditional Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamic acid 2-[2-(pentadecoxycarbonylamino)ethoxy]ethyl ester iodide Formula: C29H52IN3O5 MolecularWeight: 649.64475

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC(=O)NCCOCCOC(=O)NCC1=CC=CC=[N+]1CC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCOC(=O)NCCOCCOC(=O)NCC1=CC=CC=[N+]1CC.[I-]

InChI

InChI=1S/C29H51N3O5.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-22-36-28(33)30-20-23-35-24-25-37-29(34)31-26-27-19-16-17-21-32(27)4-2;/h16-17,19,21H,3-15,18,20,22-26H2,1-2H3,(H-,30,31,33,34);1H