tert-butyl-[3-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]propyl]azanium

Systemtic Name: tert-butyl-[3-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]propyl]azanium Openeye Name: 3-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]propyl-tert-butyl-ammonium CAS Name: 3-[[2-(4-benzoyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]propyl-tert-butylammonium IUPAC Name: 3-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]propyl-tert-butylazanium Traditional Name: 3-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]propyl-tert-butyl-ammonium Formula: C20H34N4O2+2 MolecularWeight: 362.50956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)[NH2+]CCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H32N4O2/c1-20(2,3)22-11-7-10-21-18(25)16-23-12-14-24(15-13-23)19(26)17-8-5-4-6-9-17/h4-6,8-9,22H,7,10-16H2,1-3H3,(H,21,25)/p+2