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

Systemtic Name: (3R)-1-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-(3-methylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-(3-methylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-(3-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-keto-2-(m-toluidino)ethyl]piperidin-1-ium-3-carboxamide Formula: C15H22N3O2+ MolecularWeight: 276.35408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2/c1-11-4-2-6-13(8-11)17-14(19)10-18-7-3-5-12(9-18)15(16)20/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H2,16,20)(H,17,19)/p+1/t12-/m1/s1