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

Systemtic Name: tert-butyl-[3-[2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]propyl]azanium Openeye Name: tert-butyl-[3-[[2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]propyl]ammonium CAS Name: tert-butyl-[3-[[2-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[[2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]propyl]azanium Traditional Name: tert-butyl-[3-[[2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]propyl]ammonium Formula: C19H33ClN4O+2 MolecularWeight: 368.94452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCNC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2Cl

Isomeric SMILES

CC(C)(C)[NH2+]CCCNC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2Cl

InChI

InChI=1S/C19H31ClN4O/c1-19(2,3)22-10-6-9-21-18(25)15-23-11-13-24(14-12-23)17-8-5-4-7-16(17)20/h4-5,7-8,22H,6,9-15H2,1-3H3,(H,21,25)/p+2