(3R)-1-[2-[2-(4-chloranylphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[2-(4-chloranylphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-[2-(4-chlorophenoxy)ethylamino]-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C16H23ClN3O3+ MolecularWeight: 340.82512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NCCOC2=CC=C(C=C2)Cl)C(=O)N

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC(=O)NCCOC2=CC=C(C=C2)Cl)C(=O)N

InChI

InChI=1S/C16H22ClN3O3/c17-13-3-5-14(6-4-13)23-9-7-19-15(21)11-20-8-1-2-12(10-20)16(18)22/h3-6,12H,1-2,7-11H2,(H2,18,22)(H,19,21)/p+1/t12-/m1/s1