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

Systemtic Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(oxan-4-yl)ethanamide Openeye Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-tetrahydropyran-4-yl-acetamide CAS Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(4-oxanyl)acetamide IUPAC Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(oxan-4-yl)acetamide Traditional Name: 2-[(2R)-3-keto-1-o-veratryl-piperazin-1-ium-2-yl]-N-tetrahydropyran-4-yl-acetamide Formula: C20H30N3O5+ MolecularWeight: 392.4693

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCNC(=O)C2CC(=O)NC3CCOCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCNC(=O)[C@H]2CC(=O)NC3CCOCC3

InChI

InChI=1S/C20H29N3O5/c1-26-17-5-3-4-14(19(17)27-2)13-23-9-8-21-20(25)16(23)12-18(24)22-15-6-10-28-11-7-15/h3-5,15-16H,6-13H2,1-2H3,(H,21,25)(H,22,24)/p+1/t16-/m1/s1