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

Systemtic Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(oxan-4-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(tetrahydropyran-4-ylmethyl)acetamide CAS Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-(4-oxanylmethyl)acetamide IUPAC Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-veratryl-piperazin-1-ium-2-yl]-N-methyl-N-(tetrahydropyran-4-ylmethyl)acetamide Formula: C22H34N3O5+ MolecularWeight: 420.52246

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCOCC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(CC1CCOCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H33N3O5/c1-24(14-16-6-10-30-11-7-16)21(26)13-18-22(27)23-8-9-25(18)15-17-4-5-19(28-2)20(12-17)29-3/h4-5,12,16,18H,6-11,13-15H2,1-3H3,(H,23,27)/p+1/t18-/m1/s1