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

Systemtic Name: (3R)-1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C20H32N3O3+ MolecularWeight: 362.48638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3/c1-20(2,3)16-6-8-17(9-7-16)26-12-10-22-18(24)14-23-11-4-5-15(13-23)19(21)25/h6-9,15H,4-5,10-14H2,1-3H3,(H2,21,25)(H,22,24)/p+1/t15-/m1/s1