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

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-(4-veratroylpiperazin-1-ium-1-yl)acetamide Formula: C19H25N4O5+ MolecularWeight: 389.4256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H24N4O5/c1-13-10-17(21-28-13)20-18(24)12-22-6-8-23(9-7-22)19(25)14-4-5-15(26-2)16(11-14)27-3/h4-5,10-11H,6-9,12H2,1-3H3,(H,20,21,24)/p+1