2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: homoveratryl-[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:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C22H30N4O3/c1-24(11-9-18-7-8-19(28-2)20(16-18)29-3)17-22(27)26-14-12-25(13-15-26)21-6-4-5-10-23-21/h4-8,10,16H,9,11-15,17H2,1-3H3/p+2