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

Systemtic Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(3-piperidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(3-piperidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-[3-(1-piperidin-1-iumyl)propyl]acetamide IUPAC Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(3-piperidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-o-veratryl-piperazin-1-ium-2-yl]-N-methyl-N-(3-piperidin-1-ium-1-ylpropyl)acetamide Formula: C24H40N4O4+2 MolecularWeight: 448.5988

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC[NH+]1CCCCC1)C(=O)CC2C(=O)NCC[NH+]2CC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CN(CCC[NH+]1CCCCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C24H38N4O4/c1-26(12-8-15-27-13-5-4-6-14-27)22(29)17-20-24(30)25-11-16-28(20)18-19-9-7-10-21(31-2)23(19)32-3/h7,9-10,20H,4-6,8,11-18H2,1-3H3,(H,25,30)/p+2/t20-/m1/s1