1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone Openeye Name: 1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone CAS Name: 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-(4-methyl-1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone Traditional Name: 1-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone Formula: C22H37N3O3+2 MolecularWeight: 391.54748

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3C)OC)OC

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3C)OC)OC

InChI

InChI=1S/C22H35N3O3/c1-17-5-7-23(8-6-17)16-22(26)25-11-9-24(10-12-25)15-19-14-21(28-4)20(27-3)13-18(19)2/h13-14,17H,5-12,15-16H2,1-4H3/p+2