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

Systemtic Name: 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-keto-ethyl]piperidin-1-ium-4-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+]2CCC(CC2)C(=O)N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C[NH+]2CCC(CC2)C(=O)N)OCC

InChI

InChI=1S/C20H31N3O4/c1-3-26-17-6-5-15(13-18(17)27-4-2)7-10-22-19(24)14-23-11-8-16(9-12-23)20(21)25/h5-6,13,16H,3-4,7-12,14H2,1-2H3,(H2,21,25)(H,22,24)/p+1