N-(phenylmethyl)-2-piperazine-1,4-diium-1-yl-ethanamide

Systemtic Name: N-(phenylmethyl)-2-piperazine-1,4-diium-1-yl-ethanamide Openeye Name: N-benzyl-2-piperazine-1,4-diium-1-yl-acetamide CAS Name: N-(phenylmethyl)-2-(1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-benzyl-2-piperazine-1,4-diium-1-ylacetamide Traditional Name: N-benzyl-2-piperazine-1,4-diium-1-yl-acetamide Formula: C13H21N3O+2 MolecularWeight: 235.32534

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CC(=O)NCC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C13H19N3O/c17-13(11-16-8-6-14-7-9-16)15-10-12-4-2-1-3-5-12/h1-5,14H,6-11H2,(H,15,17)/p+2