[4-[(2S)-butan-2-yl]phenyl]-[(3S)-piperidin-1-ium-3-yl]methanone

Systemtic Name: [4-[(2S)-butan-2-yl]phenyl]-[(3S)-piperidin-1-ium-3-yl]methanone Openeye Name: [4-[(1S)-1-methylpropyl]phenyl]-[(3S)-piperidin-1-ium-3-yl]methanone CAS Name: [4-[(2S)-butan-2-yl]phenyl]-[(3S)-3-piperidin-1-iumyl]methanone IUPAC Name: [4-[(2S)-butan-2-yl]phenyl]-[(3S)-piperidin-1-ium-3-yl]methanone Traditional Name: [4-[(1S)-1-methylpropyl]phenyl]-[(3S)-piperidin-1-ium-3-yl]methanone Formula: C16H24NO+ MolecularWeight: 246.36786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)C2CCC[NH2+]C2

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C(=O)[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C16H23NO/c1-3-12(2)13-6-8-14(9-7-13)16(18)15-5-4-10-17-11-15/h6-9,12,15,17H,3-5,10-11H2,1-2H3/p+1/t12-,15-/m0/s1