3-oxidanylidene-3-(4-phenethylpiperazin-4-ium-1-yl)propanenitrile

Systemtic Name: 3-oxidanylidene-3-(4-phenethylpiperazin-4-ium-1-yl)propanenitrile Openeye Name: 3-oxo-3-(4-phenethylpiperazin-4-ium-1-yl)propanenitrile CAS Name: 3-oxo-3-(4-phenethyl-1-piperazin-4-iumyl)propanenitrile IUPAC Name: 3-oxo-3-(4-phenethylpiperazin-4-ium-1-yl)propanenitrile Traditional Name: 3-keto-3-(4-phenethylpiperazin-4-ium-1-yl)propionitrile Formula: C15H20N3O+ MolecularWeight: 258.3388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)CC#N

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)CC#N

InChI

InChI=1S/C15H19N3O/c16-8-6-15(19)18-12-10-17(11-13-18)9-7-14-4-2-1-3-5-14/h1-5H,6-7,9-13H2/p+1