(4-methylphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-methylphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone Openeye Name: [(3S)-piperidin-1-ium-3-yl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[(3S)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-methylphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone Traditional Name: [(3S)-piperidin-1-ium-3-yl]-(p-tolyl)methanone Formula: C13H18NO+ MolecularWeight: 204.28812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO/c1-10-4-6-11(7-5-10)13(15)12-3-2-8-14-9-12/h4-7,12,14H,2-3,8-9H2,1H3/p+1/t12-/m0/s1