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

Systemtic Name: tert-butyl-[3-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]propyl]azanium Openeye Name: tert-butyl-[3-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]propyl]ammonium CAS Name: tert-butyl-[3-[[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]propyl]azanium Traditional Name: tert-butyl-[3-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]propyl]ammonium Formula: C18H34N5O+3 MolecularWeight: 336.49546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCNC(=O)C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

CC(C)(C)[NH2+]CCCNC(=O)C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C18H31N5O/c1-18(2,3)21-10-6-9-20-17(24)15-22-11-13-23(14-12-22)16-7-4-5-8-19-16/h4-5,7-8,21H,6,9-15H2,1-3H3,(H,20,24)/p+3