1-[(2S)-1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(2-ethoxyanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-keto-1-methyl-2-(o-phenetidino)ethyl]piperidin-1-ium-4-carboxamide Formula: C17H26N3O3+ MolecularWeight: 320.40664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C17H25N3O3/c1-3-23-15-7-5-4-6-14(15)19-17(22)12(2)20-10-8-13(9-11-20)16(18)21/h4-7,12-13H,3,8-11H2,1-2H3,(H2,18,21)(H,19,22)/p+1/t12-/m0/s1