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

Systemtic Name: [4-[(2S)-butan-2-yl]phenyl]-piperidin-1-ium-4-yl-methanone Openeye Name: [4-[(1S)-1-methylpropyl]phenyl]-piperidin-1-ium-4-yl-methanone CAS Name: [4-[(2S)-butan-2-yl]phenyl]-(4-piperidin-1-iumyl)methanone IUPAC Name: [4-[(2S)-butan-2-yl]phenyl]-piperidin-1-ium-4-ylmethanone Traditional Name: [4-[(1S)-1-methylpropyl]phenyl]-piperidin-1-ium-4-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)C2CC[NH2+]CC2

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C(=O)C2CC[NH2+]CC2

InChI

InChI=1S/C16H23NO/c1-3-12(2)13-4-6-14(7-5-13)16(18)15-8-10-17-11-9-15/h4-7,12,15,17H,3,8-11H2,1-2H3/p+1/t12-/m0/s1