(3R)-1-[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-(o-tolylmethylamino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-keto-2-[(2-methylbenzyl)amino]ethyl]piperidin-1-ium-3-carboxamide Formula: C16H24N3O2+ MolecularWeight: 290.38066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C[NH+]2CCC[C@H](C2)C(=O)N

InChI

InChI=1S/C16H23N3O2/c1-12-5-2-3-6-13(12)9-18-15(20)11-19-8-4-7-14(10-19)16(17)21/h2-3,5-6,14H,4,7-11H2,1H3,(H2,17,21)(H,18,20)/p+1/t14-/m1/s1