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

Systemtic Name: (3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C20H32N3O4+ MolecularWeight: 378.48578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C[NH+]2CCCC(C2)C(=O)N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C[NH+]2CCC[C@H](C2)C(=O)N)OCC

InChI

InChI=1S/C20H31N3O4/c1-3-26-17-8-7-15(12-18(17)27-4-2)9-10-22-19(24)14-23-11-5-6-16(13-23)20(21)25/h7-8,12,16H,3-6,9-11,13-14H2,1-2H3,(H2,21,25)(H,22,24)/p+1/t16-/m1/s1