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

Systemtic Name: 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-pentyl-ethanamide Openeye Name: 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-pentyl-acetamide CAS Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-pentylacetamide IUPAC Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-pentylacetamide Traditional Name: N-amyl-2-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H37N3O3+2 MolecularWeight: 379.53678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC(=C(C=C2C)OC)OC

Isomeric SMILES

CCCCCNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC(=C(C=C2C)OC)OC

InChI

InChI=1S/C21H35N3O3/c1-5-6-7-8-22-21(25)16-24-11-9-23(10-12-24)15-18-14-20(27-4)19(26-3)13-17(18)2/h13-14H,5-12,15-16H2,1-4H3,(H,22,25)/p+2