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

Systemtic Name: 2-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[[4-(4,5-dimethoxy-2-methyl-benzyl)piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazole Formula: C22H29N3O3+2 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=NC4=CC=CC=C4O3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=NC4=CC=CC=C4O3)OC)OC

InChI

InChI=1S/C22H27N3O3/c1-16-12-20(26-2)21(27-3)13-17(16)14-24-8-10-25(11-9-24)15-22-23-18-6-4-5-7-19(18)28-22/h4-7,12-13H,8-11,14-15H2,1-3H3/p+2