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

Systemtic Name: 4-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: 4-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-carbonyl]benzoate CAS Name: 4-[[4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]-oxomethyl]benzoate IUPAC Name: 4-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-carbonyl]benzoate Traditional Name: 4-[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=C(C=C2)C(=O)[O-]

Isomeric SMILES

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

InChI

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