3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1,2-oxazole

Systemtic Name: 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1,2-oxazole Openeye Name: 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-isoxazole CAS Name: 3-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-5-phenylisoxazole IUPAC Name: 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1,2-oxazole Traditional Name: 5-phenyl-3-[(4-veratrylpiperazine-1,4-diium-1-yl)methyl]isoxazole Formula: C23H29N3O3+2 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H27N3O3/c1-27-21-9-8-18(14-23(21)28-2)16-25-10-12-26(13-11-25)17-20-15-22(29-24-20)19-6-4-3-5-7-19/h3-9,14-15H,10-13,16-17H2,1-2H3/p+2