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

Systemtic Name: 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenyl-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-phenyl-N-prop-2-enylacetamide IUPAC Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenyl-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazine-1,4-diium-1-yl]-N-phenyl-acetamide Formula: C25H35N3O3+2 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC(=O)N(CC=C)C3=CC=CC=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC(=O)N(CC=C)C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C25H33N3O3/c1-5-11-28(22-9-7-6-8-10-22)25(29)19-27-14-12-26(13-15-27)18-21-17-24(31-4)23(30-3)16-20(21)2/h5-10,16-17H,1,11-15,18-19H2,2-4H3/p+2