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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(=O)C2CCC[NH2+]C2

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(=O)[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C16H23NO/c1-12(2)10-13-5-7-14(8-6-13)16(18)15-4-3-9-17-11-15/h5-8,12,15,17H,3-4,9-11H2,1-2H3/p+1/t15-/m0/s1