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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCNC(=O)C2CC(=O)NC(C3CC3)C4CC4

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCNC(=O)[C@H]2CC(=O)NC(C3CC3)C4CC4

InChI

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