methyl-[(2S)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]-(2-pyridin-4-ylethyl)azanium

Systemtic Name: methyl-[(2S)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]-(2-pyridin-4-ylethyl)azanium Openeye Name: methyl-[(1S)-1-methyl-2-oxo-2-piperazin-1-yl-ethyl]-[2-(4-pyridyl)ethyl]ammonium CAS Name: methyl-[(2S)-1-oxo-1-(1-piperazinyl)propan-2-yl]-(2-pyridin-4-ylethyl)ammonium IUPAC Name: methyl-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]-(2-pyridin-4-ylethyl)azanium Traditional Name: [(1S)-2-keto-1-methyl-2-piperazino-ethyl]-methyl-[2-(4-pyridyl)ethyl]ammonium Formula: C15H25N4O+ MolecularWeight: 277.3852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNCC1)[NH+](C)CCC2=CC=NC=C2

Isomeric SMILES

C[C@@H](C(=O)N1CCNCC1)[NH+](C)CCC2=CC=NC=C2

InChI

InChI=1S/C15H24N4O/c1-13(15(20)19-11-8-17-9-12-19)18(2)10-5-14-3-6-16-7-4-14/h3-4,6-7,13,17H,5,8-12H2,1-2H3/p+1/t13-/m0/s1