(2S)-1-phenyl-2-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: (2S)-1-phenyl-2-piperazin-4-ium-1-yl-propan-1-one Openeye Name: (2S)-1-phenyl-2-piperazin-4-ium-1-yl-propan-1-one CAS Name: (2S)-1-phenyl-2-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-1-phenyl-2-piperazin-4-ium-1-ylpropan-1-one Traditional Name: (2S)-1-phenyl-2-piperazin-4-ium-1-yl-propan-1-one Formula: C13H19N2O+ MolecularWeight: 219.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)C1=CC=CC=C1)N2CC[NH2+]CC2

InChI

InChI=1S/C13H18N2O/c1-11(15-9-7-14-8-10-15)13(16)12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3/p+1/t11-/m0/s1