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

Systemtic Name: 2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(oxan-4-yl)ethanamide Openeye Name: 2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-tetrahydropyran-4-yl-acetamide CAS Name: 2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-(4-oxanyl)acetamide IUPAC Name: 2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(oxan-4-yl)acetamide Traditional Name: 2-[(2S)-3-keto-1-o-veratryl-piperazin-1-ium-2-yl]-N-methyl-N-tetrahydropyran-4-yl-acetamide Formula: C21H32N3O5+ MolecularWeight: 406.49588

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCOCC1)C(=O)CC2C(=O)NCC[NH+]2CC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CN(C1CCOCC1)C(=O)C[C@H]2C(=O)NCC[NH+]2CC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C21H31N3O5/c1-23(16-7-11-29-12-8-16)19(25)13-17-21(26)22-9-10-24(17)14-15-5-4-6-18(27-2)20(15)28-3/h4-6,16-17H,7-14H2,1-3H3,(H,22,26)/p+1/t17-/m0/s1