ethyl 3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanoate

Systemtic Name: ethyl 3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanoate Openeye Name: ethyl 3-(4-benzylpiperazine-1,4-diium-1-yl)propanoate CAS Name: 3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-benzylpiperazine-1,4-diium-1-yl)propanoate Traditional Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)propionic acid ethyl ester Formula: C16H26N2O2+2 MolecularWeight: 278.38984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC[NH+]1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC[NH+]1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H24N2O2/c1-2-20-16(19)8-9-17-10-12-18(13-11-17)14-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3/p+2