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

Systemtic Name: dibutyl-[(1S)-2-oxidanylidene-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)ethyl]azanium Openeye Name: dibutyl-[(1S)-2-oxo-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)ethyl]ammonium CAS Name: dibutyl-[(1S)-2-oxo-2-(1-piperazinyl)-1-(1H-pyrrol-2-yl)ethyl]ammonium IUPAC Name: dibutyl-[(1S)-2-oxo-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)ethyl]azanium Traditional Name: dibutyl-[(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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N4O/c1-3-5-12-21(13-6-4-2)17(16-8-7-9-20-16)18(23)22-14-10-19-11-15-22/h7-9,17,19-20H,3-6,10-15H2,1-2H3/p+1/t17-/m0/s1