methyl-[(2S)-3-methyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]-(2-pyridin-4-ylethyl)azanium

Systemtic Name: methyl-[(2S)-3-methyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]-(2-pyridin-4-ylethyl)azanium Openeye Name: methyl-[(1S)-2-methyl-1-(piperazine-1-carbonyl)propyl]-[2-(4-pyridyl)ethyl]ammonium CAS Name: methyl-[(2S)-3-methyl-1-oxo-1-(1-piperazinyl)butan-2-yl]-(2-pyridin-4-ylethyl)ammonium IUPAC Name: methyl-[(2S)-3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl]-(2-pyridin-4-ylethyl)azanium Traditional Name: methyl-[(1S)-2-methyl-1-(piperazine-1-carbonyl)propyl]-[2-(4-pyridyl)ethyl]ammonium Formula: C17H29N4O+ MolecularWeight: 305.43836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O/c1-14(2)16(17(22)21-12-9-19-10-13-21)20(3)11-6-15-4-7-18-8-5-15/h4-5,7-8,14,16,19H,6,9-13H2,1-3H3/p+1/t16-/m0/s1