N-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4,5-dimethoxy-2-methyl-benzyl)-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C22H32N4O3+2 MolecularWeight: 400.51448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN(C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN(C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)OC)OC

InChI

InChI=1S/C22H30N4O3/c1-17-13-19(28-3)20(29-4)14-18(17)15-24(2)22(27)16-25-9-11-26(12-10-25)21-7-5-6-8-23-21/h5-8,13-14H,9-12,15-16H2,1-4H3/p+2