[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]azanium

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: [2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]ammonium CAS Name: [2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: [2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]azanium Traditional Name: [2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]ammonium Formula: C13H21N3O+2 MolecularWeight: 235.32534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C[NH3+]

InChI

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