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

Systemtic Name: tert-butyl-[3-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]propyl]azanium Openeye Name: tert-butyl-[3-[[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]amino]propyl]ammonium CAS Name: tert-butyl-[3-[[2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]propyl]azanium Traditional Name: tert-butyl-[3-[[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]amino]propyl]ammonium Formula: C20H36N4O+2 MolecularWeight: 348.52604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCC[NH2+]C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCC[NH2+]C(C)(C)C

InChI

InChI=1S/C20H34N4O/c1-17-8-5-6-9-18(17)24-14-12-23(13-15-24)16-19(25)21-10-7-11-22-20(2,3)4/h5-6,8-9,22H,7,10-16H2,1-4H3,(H,21,25)/p+2