(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: (4,5-dimethoxy-2-methyl-benzyl)-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-methyl-ammonium Formula: C22H32N4O3+2 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+](C)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+](C)CC(=O)N2CCN(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)16-22(27)26-11-9-25(10-12-26)21-7-5-6-8-23-21/h5-8,13-14H,9-12,15-16H2,1-4H3/p+2