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

Systemtic Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-ethyl-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-ethyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide CAS Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-ethyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-ethyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Traditional Name: N-ethyl-2-[(2R)-3-keto-1-o-veratryl-piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Formula: C23H38N4O4+2 MolecularWeight: 434.57222

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[NH+]1CCCC1)C(=O)CC2C(=O)NCC[NH+]2CC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CCN(CC[NH+]1CCCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C23H36N4O4/c1-4-26(15-14-25-11-5-6-12-25)21(28)16-19-23(29)24-10-13-27(19)17-18-8-7-9-20(30-2)22(18)31-3/h7-9,19H,4-6,10-17H2,1-3H3,(H,24,29)/p+2/t19-/m1/s1