2-[4-[(4-butoxy-3-ethoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-ethanamide

Systemtic Name: 2-[4-[(4-butoxy-3-ethoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-ethanamide Openeye Name: 2-[4-[(4-butoxy-3-ethoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-acetamide CAS Name: 2-[4-[(4-butoxy-3-ethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-methylacetamide IUPAC Name: 2-[4-[(4-butoxy-3-ethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide Traditional Name: 2-[4-(4-butoxy-3-ethoxy-benzyl)piperazine-1,4-diium-1-yl]-N-methyl-acetamide Formula: C20H35N3O3+2 MolecularWeight: 365.5102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC)OCC

InChI

InChI=1S/C20H33N3O3/c1-4-6-13-26-18-8-7-17(14-19(18)25-5-2)15-22-9-11-23(12-10-22)16-20(24)21-3/h7-8,14H,4-6,9-13,15-16H2,1-3H3,(H,21,24)/p+2