2-[2-(1-azanyl-1-oxidanylidene-butan-2-yl)-1-phenyl-pyridin-1-ium-3-yl]ethyl N-ethylcarbamate chloride

Systemtic Name: 2-[2-(1-azanyl-1-oxidanylidene-butan-2-yl)-1-phenyl-pyridin-1-ium-3-yl]ethyl N-ethylcarbamate chloride Openeye Name: 2-[2-(1-carbamoylpropyl)-1-phenyl-pyridin-1-ium-3-yl]ethyl N-ethylcarbamate chloride CAS Name: N-ethylcarbamic acid 2-[2-(1-amino-1-oxobutan-2-yl)-1-phenyl-3-pyridin-1-iumyl]ethyl ester chloride IUPAC Name: 2-[2-(1-amino-1-oxobutan-2-yl)-1-phenylpyridin-1-ium-3-yl]ethyl N-ethylcarbamate chloride Traditional Name: N-ethylcarbamic acid 2-[2-(1-carbamoylpropyl)-1-phenyl-pyridin-1-ium-3-yl]ethyl ester chloride Formula: C20H26ClN3O3 MolecularWeight: 391.89174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC=[N+]1C2=CC=CC=C2)CCOC(=O)NCC)C(=O)N.[Cl-]

Isomeric SMILES

CCC(C1=C(C=CC=[N+]1C2=CC=CC=C2)CCOC(=O)NCC)C(=O)N.[Cl-]

InChI

InChI=1S/C20H25N3O3.ClH/c1-3-17(19(21)24)18-15(12-14-26-20(25)22-4-2)9-8-13-23(18)16-10-6-5-7-11-16;/h5-11,13,17H,3-4,12,14H2,1-2H3,(H2-,21,22,24,25);1H