N-(dicyclopropylmethyl)-2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(dicyclopropylmethyl)-2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(dicyclopropylmethyl)-2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-(dicyclopropylmethyl)-2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(dicyclopropylmethyl)-2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(dicyclopropylmethyl)-2-[(2R)-3-keto-1-veratryl-piperazin-1-ium-2-yl]acetamide Formula: C22H32N3O4+ MolecularWeight: 402.50718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NC(C3CC3)C4CC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NC(C3CC3)C4CC4)OC

InChI

InChI=1S/C22H31N3O4/c1-28-18-8-3-14(11-19(18)29-2)13-25-10-9-23-22(27)17(25)12-20(26)24-21(15-4-5-15)16-6-7-16/h3,8,11,15-17,21H,4-7,9-10,12-13H2,1-2H3,(H,23,27)(H,24,26)/p+1/t17-/m1/s1