[(1R)-3-oxidanylidene-1-phenyl-3-piperazin-4-ium-1-yl-propyl]azanium

Systemtic Name: [(1R)-3-oxidanylidene-1-phenyl-3-piperazin-4-ium-1-yl-propyl]azanium Openeye Name: [(1R)-3-oxo-1-phenyl-3-piperazin-4-ium-1-yl-propyl]ammonium CAS Name: [(1R)-3-oxo-1-phenyl-3-(1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: [(1R)-3-oxo-1-phenyl-3-piperazin-4-ium-1-ylpropyl]azanium Traditional Name: [(1R)-3-keto-1-phenyl-3-piperazin-4-ium-1-yl-propyl]ammonium Formula: C13H21N3O+2 MolecularWeight: 235.32534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)CC(C2=CC=CC=C2)[NH3+]

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C[C@H](C2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C13H19N3O/c14-12(11-4-2-1-3-5-11)10-13(17)16-8-6-15-7-9-16/h1-5,12,15H,6-10,14H2/p+2/t12-/m1/s1