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

Systemtic Name: (3R)-1-[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl]piperidin-1-ium-3-carboxamide Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-13-4-2-6-15(10-13)23-9-7-19-16(21)12-20-8-3-5-14(11-20)17(18)22/h2,4,6,10,14H,3,5,7-9,11-12H2,1H3,(H2,18,22)(H,19,21)/p+1/t14-/m1/s1