[(1S)-1-(4-ethoxyphenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]-(2-hydroxyethyl)-methyl-azanium

Systemtic Name: [(1S)-1-(4-ethoxyphenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]-(2-hydroxyethyl)-methyl-azanium Openeye Name: [(1S)-1-(4-ethoxyphenyl)-2-oxo-2-piperazin-1-yl-ethyl]-(2-hydroxyethyl)-methyl-ammonium CAS Name: [(1S)-1-(4-ethoxyphenyl)-2-oxo-2-(1-piperazinyl)ethyl]-(2-hydroxyethyl)-methylammonium IUPAC Name: [(1S)-1-(4-ethoxyphenyl)-2-oxo-2-piperazin-1-ylethyl]-(2-hydroxyethyl)-methylazanium Traditional Name: 2-hydroxyethyl-[(1S)-2-keto-2-piperazino-1-p-phenetyl-ethyl]-methyl-ammonium Formula: C17H28N3O3+ MolecularWeight: 322.42252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C(=O)N2CCNCC2)[NH+](C)CCO

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H](C(=O)N2CCNCC2)[NH+](C)CCO

InChI

InChI=1S/C17H27N3O3/c1-3-23-15-6-4-14(5-7-15)16(19(2)12-13-21)17(22)20-10-8-18-9-11-20/h4-7,16,18,21H,3,8-13H2,1-2H3/p+1/t16-/m0/s1