2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)ethanamide

Systemtic Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)ethanamide Openeye Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]-N-(3-isopropylisoxazol-5-yl)acetamide CAS Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-1-iumyl]-N-(3-propan-2-yl-5-isoxazolyl)acetamide IUPAC Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide Traditional Name: N-(3-isopropylisoxazol-5-yl)-2-(4-veratrylpiperazin-1-ium-1-yl)acetamide Formula: C21H31N4O4+ MolecularWeight: 403.49524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)C1=NOC(=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H30N4O4/c1-15(2)17-12-21(29-23-17)22-20(26)14-25-9-7-24(8-10-25)13-16-5-6-18(27-3)19(11-16)28-4/h5-6,11-12,15H,7-10,13-14H2,1-4H3,(H,22,26)/p+1