2-hydroxyethyl-methyl-[(2R)-1-oxidanylidene-4-phenyl-1-piperazin-1-yl-butan-2-yl]azanium

Systemtic Name: 2-hydroxyethyl-methyl-[(2R)-1-oxidanylidene-4-phenyl-1-piperazin-1-yl-butan-2-yl]azanium Openeye Name: 2-hydroxyethyl-methyl-[(1R)-3-phenyl-1-(piperazine-1-carbonyl)propyl]ammonium CAS Name: 2-hydroxyethyl-methyl-[(2R)-1-oxo-4-phenyl-1-(1-piperazinyl)butan-2-yl]ammonium IUPAC Name: 2-hydroxyethyl-methyl-[(2R)-1-oxo-4-phenyl-1-piperazin-1-ylbutan-2-yl]azanium Traditional Name: 2-hydroxyethyl-methyl-[(1R)-3-phenyl-1-(piperazine-1-carbonyl)propyl]ammonium Formula: C17H28N3O2+ MolecularWeight: 306.42312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCO)C(CCC1=CC=CC=C1)C(=O)N2CCNCC2

Isomeric SMILES

C[NH+](CCO)[C@H](CCC1=CC=CC=C1)C(=O)N2CCNCC2

InChI

InChI=1S/C17H27N3O2/c1-19(13-14-21)16(8-7-15-5-3-2-4-6-15)17(22)20-11-9-18-10-12-20/h2-6,16,18,21H,7-14H2,1H3/p+1/t16-/m1/s1