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

Systemtic Name: (3R)-1-[2-[(3-methylphenyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-(N-benzyl-3-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-(3-methyl-N-(phenylmethyl)anilino)-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-(N-benzyl-3-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-(N-benzyl-3-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C22H27N3O2/c1-17-7-5-11-20(13-17)25(14-18-8-3-2-4-9-18)21(26)16-24-12-6-10-19(15-24)22(23)27/h2-5,7-9,11,13,19H,6,10,12,14-16H2,1H3,(H2,23,27)/p+1/t19-/m1/s1