tert-butyl-ethyl-[(1S)-2-oxidanylidene-2-piperazin-1-yl-1-pyridin-3-yl-ethyl]azanium

Systemtic Name: tert-butyl-ethyl-[(1S)-2-oxidanylidene-2-piperazin-1-yl-1-pyridin-3-yl-ethyl]azanium Openeye Name: tert-butyl-ethyl-[(1S)-2-oxo-2-piperazin-1-yl-1-(3-pyridyl)ethyl]ammonium CAS Name: tert-butyl-ethyl-[(1S)-2-oxo-2-(1-piperazinyl)-1-(3-pyridinyl)ethyl]ammonium IUPAC Name: tert-butyl-ethyl-[(1S)-2-oxo-2-piperazin-1-yl-1-pyridin-3-ylethyl]azanium Traditional Name: tert-butyl-ethyl-[(1S)-2-keto-2-piperazino-1-(3-pyridyl)ethyl]ammonium Formula: C17H29N4O+ MolecularWeight: 305.43836

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](C(C1=CN=CC=C1)C(=O)N2CCNCC2)C(C)(C)C

Isomeric SMILES

CC[NH+]([C@@H](C1=CN=CC=C1)C(=O)N2CCNCC2)C(C)(C)C

InChI

InChI=1S/C17H28N4O/c1-5-21(17(2,3)4)15(14-7-6-8-19-13-14)16(22)20-11-9-18-10-12-20/h6-8,13,15,18H,5,9-12H2,1-4H3/p+1/t15-/m0/s1