2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-methoxypropyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-m-anisyl-piperazin-1-ium-2-yl]-N-(3-methoxypropyl)acetamide Formula: C18H28N3O4+ MolecularWeight: 350.43262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4/c1-24-10-4-7-19-17(22)12-16-18(23)20-8-9-21(16)13-14-5-3-6-15(11-14)25-2/h3,5-6,11,16H,4,7-10,12-13H2,1-2H3,(H,19,22)(H,20,23)/p+1/t16-/m1/s1