N-cyclobutyl-2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-cyclobutyl-2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-cyclobutyl-2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-cyclobutyl-2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclobutyl-2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-cyclobutyl-2-[(2R)-1-(3,5-dimethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)NC3CCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NC3CCC3)OC

InChI

InChI=1S/C19H27N3O4/c1-25-15-8-13(9-16(10-15)26-2)12-22-7-6-20-19(24)17(22)11-18(23)21-14-4-3-5-14/h8-10,14,17H,3-7,11-12H2,1-2H3,(H,20,24)(H,21,23)/p+1/t17-/m1/s1