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

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

Systemtic Name:2-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]carbonylbenzoate
Openeye Name:2-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-carbonyl]benzoate
CAS Name:2-[[4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]-oxomethyl]benzoate
IUPAC Name:2-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-carbonyl]benzoate
Traditional Name:2-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-carbonyl]benzoate
Formula: C16H22N2O3
MolecularWeight: 290.35748
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2C(=O)[O-]


Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2C(=O)[O-]


InChI

InChI=1S/C16H22N2O3/c1-3-12(2)17-8-10-18(11-9-17)15(19)13-6-4-5-7-14(13)16(20)21/h4-7,12H,3,8-11H2,1-2H3,(H,20,21)/t12-/m0/s1


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