tert-butyl-ethyl-[(1S)-2-oxidanylidene-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)ethyl]azanium

Systemtic Name: tert-butyl-ethyl-[(1S)-2-oxidanylidene-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)ethyl]azanium Openeye Name: tert-butyl-ethyl-[(1S)-2-oxo-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)ethyl]ammonium CAS Name: tert-butyl-ethyl-[(1S)-2-oxo-2-(1-piperazinyl)-1-(1H-pyrrol-2-yl)ethyl]ammonium IUPAC Name: tert-butyl-ethyl-[(1S)-2-oxo-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)ethyl]azanium Traditional Name: tert-butyl-ethyl-[(1S)-2-keto-2-piperazino-1-(1H-pyrrol-2-yl)ethyl]ammonium Formula: C16H29N4O+ MolecularWeight: 293.42766

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](C(C1=CC=CN1)C(=O)N2CCNCC2)C(C)(C)C

Isomeric SMILES

CC[NH+]([C@@H](C1=CC=CN1)C(=O)N2CCNCC2)C(C)(C)C

InChI

InChI=1S/C16H28N4O/c1-5-20(16(2,3)4)14(13-7-6-8-18-13)15(21)19-11-9-17-10-12-19/h6-8,14,17-18H,5,9-12H2,1-4H3/p+1/t14-/m0/s1