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

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(5-methylisoxazol-3-yl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(5-methyl-3-isoxazolyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazin-4-ium-1-carboxamide Traditional Name: N-(5-methylisoxazol-3-yl)-4-veratryl-piperazin-4-ium-1-carboxamide Formula: C18H25N4O4+ MolecularWeight: 361.4155

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=NO1)NC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C18H24N4O4/c1-13-10-17(20-26-13)19-18(23)22-8-6-21(7-9-22)12-14-4-5-15(24-2)16(11-14)25-3/h4-5,10-11H,6-9,12H2,1-3H3,(H,19,20,23)/p+1