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

Systemtic Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-piperidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(2-piperidin-1-ium-1-ylethyl)acetamide CAS Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[2-(1-piperidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-piperidin-1-ium-1-ylethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-o-veratryl-piperazin-1-ium-2-yl]-N-(2-piperidin-1-ium-1-ylethyl)acetamide Formula: C22H36N4O4+2 MolecularWeight: 420.54564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCNC(=O)C2CC(=O)NCC[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC[NH+]3CCCCC3

InChI

InChI=1S/C22H34N4O4/c1-29-19-8-6-7-17(21(19)30-2)16-26-14-10-24-22(28)18(26)15-20(27)23-9-13-25-11-4-3-5-12-25/h6-8,18H,3-5,9-16H2,1-2H3,(H,23,27)(H,24,28)/p+2/t18-/m1/s1