bis(2-methylpropyl)-[(1S)-2-oxidanylidene-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)ethyl]azanium

Systemtic Name: bis(2-methylpropyl)-[(1S)-2-oxidanylidene-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)ethyl]azanium Openeye Name: diisobutyl-[(1S)-2-oxo-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)ethyl]ammonium CAS Name: bis(2-methylpropyl)-[(1S)-2-oxo-2-(1-piperazinyl)-1-(1H-pyrrol-2-yl)ethyl]ammonium IUPAC Name: bis(2-methylpropyl)-[(1S)-2-oxo-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)ethyl]azanium Traditional Name: diisobutyl-[(1S)-2-keto-2-piperazino-1-(1H-pyrrol-2-yl)ethyl]ammonium Formula: C18H33N4O+ MolecularWeight: 321.48082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N4O/c1-14(2)12-22(13-15(3)4)17(16-6-5-7-20-16)18(23)21-10-8-19-9-11-21/h5-7,14-15,17,19-20H,8-13H2,1-4H3/p+1/t17-/m0/s1