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

Systemtic Name: 3-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1,2-oxazole Openeye Name: 3-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-isoxazole CAS Name: 3-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-5-phenylisoxazole IUPAC Name: 3-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1,2-oxazole Traditional Name: 3-[[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]methyl]-5-phenyl-isoxazole Formula: C23H29N3O2+2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c1-18-8-9-22(27-2)20(14-18)16-25-10-12-26(13-11-25)17-21-15-23(28-24-21)19-6-4-3-5-7-19/h3-9,14-15H,10-13,16-17H2,1-2H3/p+2