2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-ethoxypropyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-ethoxypropyl)ethanamide Openeye Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(3-ethoxypropyl)acetamide CAS Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(3-ethoxypropyl)acetamide IUPAC Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(3-ethoxypropyl)acetamide Traditional Name: N-(3-ethoxypropyl)-2-[(2R)-3-keto-1-o-veratryl-piperazin-1-ium-2-yl]acetamide Formula: C20H32N3O5+ MolecularWeight: 394.48518

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)CC1C(=O)NCC[NH+]1CC2=C(C(=CC=C2)OC)OC

Isomeric SMILES

CCOCCCNC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=C(C(=CC=C2)OC)OC

InChI

InChI=1S/C20H31N3O5/c1-4-28-12-6-9-21-18(24)13-16-20(25)22-10-11-23(16)14-15-7-5-8-17(26-2)19(15)27-3/h5,7-8,16H,4,6,9-14H2,1-3H3,(H,21,24)(H,22,25)/p+1/t16-/m1/s1