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

Systemtic Name: 3-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1,2-oxazole Openeye Name: 3-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-isoxazole CAS Name: 3-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-5-phenylisoxazole IUPAC Name: 3-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1,2-oxazole Traditional Name: 3-[[4-(4,5-dimethoxy-2-methyl-benzyl)piperazine-1,4-diium-1-yl]methyl]-5-phenyl-isoxazole Formula: C24H31N3O3+2 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CC=C4)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C24H29N3O3/c1-18-13-23(28-2)24(29-3)14-20(18)16-26-9-11-27(12-10-26)17-21-15-22(30-25-21)19-7-5-4-6-8-19/h4-8,13-15H,9-12,16-17H2,1-3H3/p+2