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

Systemtic Name: tert-butyl-[3-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanoylamino]propyl]azanium Openeye Name: tert-butyl-[3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]propyl]ammonium CAS Name: tert-butyl-[3-[[2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]propyl]azanium Traditional Name: tert-butyl-[3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]propyl]ammonium Formula: C21H38N4O+2 MolecularWeight: 362.55262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NCCC[NH2+]C(C)(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NCCC[NH2+]C(C)(C)C)C

InChI

InChI=1S/C21H36N4O/c1-17-8-6-9-19(18(17)2)25-14-12-24(13-15-25)16-20(26)22-10-7-11-23-21(3,4)5/h6,8-9,23H,7,10-16H2,1-5H3,(H,22,26)/p+2