2,5-dimethyl-N-[(3S)-piperidin-1-ium-3-yl]benzamide

Systemtic Name: 2,5-dimethyl-N-[(3S)-piperidin-1-ium-3-yl]benzamide Openeye Name: 2,5-dimethyl-N-[(3S)-piperidin-1-ium-3-yl]benzamide CAS Name: 2,5-dimethyl-N-[(3S)-3-piperidin-1-iumyl]benzamide IUPAC Name: 2,5-dimethyl-N-[(3S)-piperidin-1-ium-3-yl]benzamide Traditional Name: 2,5-dimethyl-N-[(3S)-piperidin-1-ium-3-yl]benzamide Formula: C14H21N2O+ MolecularWeight: 233.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)NC2CCC[NH2+]C2

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O/c1-10-5-6-11(2)13(8-10)14(17)16-12-4-3-7-15-9-12/h5-6,8,12,15H,3-4,7,9H2,1-2H3,(H,16,17)/p+1/t12-/m0/s1