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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O/c1-3-10-20(11-4-2)16(15-6-5-7-19-14-15)17(22)21-12-8-18-9-13-21/h5-7,14,16,18H,3-4,8-13H2,1-2H3/p+1/t16-/m0/s1