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

Systemtic Name: tert-butyl 3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanoate Openeye Name: tert-butyl 3-(4-benzylpiperazine-1,4-diium-1-yl)propanoate CAS Name: 3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-benzylpiperazine-1,4-diium-1-yl)propanoate Traditional Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)propionic acid tert-butyl ester Formula: C18H30N2O2+2 MolecularWeight: 306.443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)9-10-19-11-13-20(14-12-19)15-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3/p+2