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

Systemtic Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone Openeye Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(5-methylisoxazol-3-yl)methanone CAS Name: [4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(5-methyl-3-isoxazolyl)methanone IUPAC Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone Traditional Name: [4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-(5-methylisoxazol-3-yl)methanone Formula: C18H24N3O4+ MolecularWeight: 346.40086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4/c1-13-10-16(19-25-13)18(22)21-8-6-20(7-9-21)12-14-11-15(23-2)4-5-17(14)24-3/h4-5,10-11H,6-9,12H2,1-3H3/p+1