[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]-(4-pyridyl)methanone CAS Name: [4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]-pyridin-4-ylmethanone IUPAC Name: [4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]-(4-pyridyl)methanone Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)C(=O)C2=CC=NC=C2

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)C(=O)C2=CC=NC=C2

InChI

InChI=1S/C14H21N3O/c1-3-12(2)16-8-10-17(11-9-16)14(18)13-4-6-15-7-5-13/h4-7,12H,3,8-11H2,1-2H3/p+1/t12-/m0/s1