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

Systemtic Name: 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-ethyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-ethyl-acetamide CAS Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-ethyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-ethylacetamide Traditional Name: N-benzyl-2-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazine-1,4-diium-1-yl]-N-ethyl-acetamide Formula: C25H37N3O3+2 MolecularWeight: 427.57958

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC(=C(C=C3C)OC)OC

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC(=C(C=C3C)OC)OC

InChI

InChI=1S/C25H35N3O3/c1-5-28(17-21-9-7-6-8-10-21)25(29)19-27-13-11-26(12-14-27)18-22-16-24(31-4)23(30-3)15-20(22)2/h6-10,15-16H,5,11-14,17-19H2,1-4H3/p+2