methyl-(1-methylpiperidin-1-ium-4-yl)-[2-oxidanylidene-2-[(3-phenoxyphenyl)amino]ethyl]azanium

Systemtic Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[2-oxidanylidene-2-[(3-phenoxyphenyl)amino]ethyl]azanium Openeye Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[2-oxo-2-(3-phenoxyanilino)ethyl]ammonium CAS Name: methyl-(1-methyl-4-piperidin-1-iumyl)-[2-oxo-2-(3-phenoxyanilino)ethyl]ammonium IUPAC Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[2-oxo-2-(3-phenoxyanilino)ethyl]azanium Traditional Name: [2-keto-2-(3-phenoxyanilino)ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C21H29N3O2+2 MolecularWeight: 355.47386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC(=O)NC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC(=O)NC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-23-13-11-18(12-14-23)24(2)16-21(25)22-17-7-6-10-20(15-17)26-19-8-4-3-5-9-19/h3-10,15,18H,11-14,16H2,1-2H3,(H,22,25)/p+2