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

Systemtic Name: (3R)-1-[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-13-5-6-16(14(2)10-13)24-9-7-20-17(22)12-21-8-3-4-15(11-21)18(19)23/h5-6,10,15H,3-4,7-9,11-12H2,1-2H3,(H2,19,23)(H,20,22)/p+1/t15-/m1/s1