3-phenyl-1-piperazin-4-ium-1-yl-prop-2-yn-1-one

Systemtic Name: 3-phenyl-1-piperazin-4-ium-1-yl-prop-2-yn-1-one Openeye Name: 3-phenyl-1-piperazin-4-ium-1-yl-prop-2-yn-1-one CAS Name: 3-phenyl-1-(1-piperazin-4-iumyl)-2-propyn-1-one IUPAC Name: 3-phenyl-1-piperazin-4-ium-1-ylprop-2-yn-1-one Traditional Name: 3-phenyl-1-piperazin-4-ium-1-yl-prop-2-yn-1-one Formula: C13H15N2O+ MolecularWeight: 215.271

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C#CC2=CC=CC=C2

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C#CC2=CC=CC=C2

InChI

InChI=1S/C13H14N2O/c16-13(15-10-8-14-9-11-15)7-6-12-4-2-1-3-5-12/h1-5,14H,8-11H2/p+1