2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-furylmethyl)acetamide CAS Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazine-1,4-diium-1-yl]-N-(2-furfuryl)acetamide Formula: C21H31N3O4+2 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC(=O)NCC3=CC=CO3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC(=O)NCC3=CC=CO3)OC)OC

InChI

InChI=1S/C21H29N3O4/c1-16-11-19(26-2)20(27-3)12-17(16)14-23-6-8-24(9-7-23)15-21(25)22-13-18-5-4-10-28-18/h4-5,10-12H,6-9,13-15H2,1-3H3,(H,22,25)/p+2