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

Systemtic Name: 2-phenoxyethyl N-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl]carbamate Openeye Name: 2-phenoxyethyl N-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl]carbamate CAS Name: N-[2-[2-[anilino(oxo)methyl]-1-propyl-3-pyridin-1-iumyl]ethyl]carbamic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl N-[2-[2-(phenylcarbamoyl)-1-propylpyridin-1-ium-3-yl]ethyl]carbamate Traditional Name: N-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl]carbamic acid 2-phenoxyethyl ester Formula: C26H30N3O4+ MolecularWeight: 448.5341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O4/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)/p+1