N-(3-methylphenyl)-2-[(3S)-3-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[(3S)-3-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl]ethanamide Openeye Name: 2-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]-N-(m-tolyl)acetamide CAS Name: N-(3-methylphenyl)-2-[(3S)-3-[4-morpholinyl(oxo)methyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-methylphenyl)-2-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]acetamide Traditional Name: 2-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]-N-(m-tolyl)acetamide Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[NH+]2CCC[C@@H](C2)C(=O)N3CCOCC3

InChI

InChI=1S/C19H27N3O3/c1-15-4-2-6-17(12-15)20-18(23)14-21-7-3-5-16(13-21)19(24)22-8-10-25-11-9-22/h2,4,6,12,16H,3,5,7-11,13-14H2,1H3,(H,20,23)/p+1/t16-/m0/s1