2-phenoxyethyl N-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl]carbamate iodide

Systemtic Name: 2-phenoxyethyl N-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl]carbamate iodide Openeye Name: 2-phenoxyethyl N-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl]carbamate iodide CAS Name: N-[2-[2-[anilino(oxo)methyl]-1-propyl-3-pyridin-1-iumyl]ethyl]carbamic acid 2-phenoxyethyl ester iodide IUPAC Name: 2-phenoxyethyl N-[2-[2-(phenylcarbamoyl)-1-propylpyridin-1-ium-3-yl]ethyl]carbamate iodide Traditional Name: N-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl]carbamic acid 2-phenoxyethyl ester iodide Formula: C26H30IN3O4 MolecularWeight: 575.43857

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=CC(=C1C(=O)NC2=CC=CC=C2)CCNC(=O)OCCOC3=CC=CC=C3.[I-]

Isomeric SMILES

CCC[N+]1=CC=CC(=C1C(=O)NC2=CC=CC=C2)CCNC(=O)OCCOC3=CC=CC=C3.[I-]

InChI

InChI=1S/C26H29N3O4.HI/c1-2-17-29-18-9-10-21(24(29)25(30)28-22-11-5-3-6-12-22)15-16-27-26(31)33-20-19-32-23-13-7-4-8-14-23;/h3-14,18H,2,15-17,19-20H2,1H3,(H-,27,28,30,31);1H