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

Systemtic Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide CAS Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-veratryl-piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Formula: C21H34N4O4+2 MolecularWeight: 406.51906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC[NH+]3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC[NH+]3CCCC3)OC

InChI

InChI=1S/C21H32N4O4/c1-28-18-6-5-16(13-19(18)29-2)15-25-12-8-23-21(27)17(25)14-20(26)22-7-11-24-9-3-4-10-24/h5-6,13,17H,3-4,7-12,14-15H2,1-2H3,(H,22,26)(H,23,27)/p+2/t17-/m1/s1