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

Systemtic Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-(1-methyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[(2R)-3-keto-1-veratryl-piperazin-1-ium-2-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)acetamide Formula: C22H36N4O4+2 MolecularWeight: 420.54564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)CC2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H34N4O4/c1-24-10-7-17(8-11-24)25(2)21(27)14-18-22(28)23-9-12-26(18)15-16-5-6-19(29-3)20(13-16)30-4/h5-6,13,17-18H,7-12,14-15H2,1-4H3,(H,23,28)/p+2/t18-/m1/s1