[(1S)-1-(3-acetamidophenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(1S)-1-(3-acetamidophenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-(3-acetamidophenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: [(1S)-1-(3-acetamidophenyl)ethyl]-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(3-acetamidophenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-(3-acetamidophenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)NC(=O)C)[NH2+]CCC[NH+]2CCCC2

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)NC(=O)C)[NH2+]CCC[NH+]2CCCC2

InChI

InChI=1S/C17H27N3O/c1-14(18-9-6-12-20-10-3-4-11-20)16-7-5-8-17(13-16)19-15(2)21/h5,7-8,13-14,18H,3-4,6,9-12H2,1-2H3,(H,19,21)/p+2/t14-/m0/s1