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

Systemtic Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(5-methylisoxazol-3-yl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(5-methyl-3-isoxazolyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(4,5-dimethoxy-2-methyl-benzyl)-N-(5-methylisoxazol-3-yl)piperazin-4-ium-1-carboxamide Formula: C19H27N4O4+ MolecularWeight: 375.44208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)NC3=NOC(=C3)C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)NC3=NOC(=C3)C)OC)OC

InChI

InChI=1S/C19H26N4O4/c1-13-9-16(25-3)17(26-4)11-15(13)12-22-5-7-23(8-6-22)19(24)20-18-10-14(2)27-21-18/h9-11H,5-8,12H2,1-4H3,(H,20,21,24)/p+1