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

Systemtic Name: tert-butyl-[3-[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]propyl]azanium Openeye Name: tert-butyl-[3-[[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]propyl]ammonium CAS Name: tert-butyl-[3-[[2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]propyl]azanium Traditional Name: tert-butyl-[3-[[2-(4-o-phenetylpiperazin-1-ium-1-yl)acetyl]amino]propyl]ammonium Formula: C21H38N4O2+2 MolecularWeight: 378.55202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCC[NH2+]C(C)(C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCC[NH2+]C(C)(C)C

InChI

InChI=1S/C21H36N4O2/c1-5-27-19-10-7-6-9-18(19)25-15-13-24(14-16-25)17-20(26)22-11-8-12-23-21(2,3)4/h6-7,9-10,23H,5,8,11-17H2,1-4H3,(H,22,26)/p+2