tert-butyl-[3-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanoylamino]propyl]azanium

Systemtic Name: tert-butyl-[3-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanoylamino]propyl]azanium Openeye Name: tert-butyl-[3-[[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetyl]amino]propyl]ammonium CAS Name: tert-butyl-[3-[[2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]propyl]azanium Traditional Name: tert-butyl-[3-[[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetyl]amino]propyl]ammonium Formula: C20H35ClN4O+2 MolecularWeight: 382.9711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33ClN4O/c1-16-6-7-17(21)14-18(16)25-12-10-24(11-13-25)15-19(26)22-8-5-9-23-20(2,3)4/h6-7,14,23H,5,8-13,15H2,1-4H3,(H,22,26)/p+2