3-[4-[(2R)-butan-2-yl]piperazin-4-ium-1-yl]carbonylbenzoate

Systemtic Name: 3-[4-[(2R)-butan-2-yl]piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: 3-[4-[(1R)-1-methylpropyl]piperazin-4-ium-1-carbonyl]benzoate CAS Name: 3-[[4-[(2R)-butan-2-yl]-1-piperazin-4-iumyl]-oxomethyl]benzoate IUPAC Name: 3-[4-[(2R)-butan-2-yl]piperazin-4-ium-1-carbonyl]benzoate Traditional Name: 3-[4-[(1R)-1-methylpropyl]piperazin-4-ium-1-carbonyl]benzoate Formula: C16H22N2O3 MolecularWeight: 290.35748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-3-12(2)17-7-9-18(10-8-17)15(19)13-5-4-6-14(11-13)16(20)21/h4-6,11-12H,3,7-10H2,1-2H3,(H,20,21)/t12-/m1/s1