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

Systemtic Name: tert-butyl-[3-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]propyl]azanium Openeye Name: tert-butyl-[3-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]propyl]ammonium CAS Name: tert-butyl-[3-[[2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]propyl]azanium Traditional Name: tert-butyl-[3-[[2-[4-(3-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=C2)Cl

Isomeric SMILES

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

InChI

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