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

Systemtic Name: tert-butyl-[3-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]propyl]azanium Openeye Name: tert-butyl-[3-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]propyl]ammonium CAS Name: tert-butyl-[3-[[2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]propyl]azanium Traditional Name: tert-butyl-[3-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]propyl]ammonium Formula: C19H34N4O2+2 MolecularWeight: 350.49886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCNC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2O

Isomeric SMILES

CC(C)(C)[NH2+]CCCNC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2O

InChI

InChI=1S/C19H32N4O2/c1-19(2,3)21-10-6-9-20-18(25)15-22-11-13-23(14-12-22)16-7-4-5-8-17(16)24/h4-5,7-8,21,24H,6,9-15H2,1-3H3,(H,20,25)/p+2