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

Systemtic Name: (3,4-dimethoxyphenyl)methyl-methyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-methyl-veratryl-ammonium Formula: C21H30N4O3+2 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)OC)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)OC)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H28N4O3/c1-23(15-17-7-8-18(27-2)19(14-17)28-3)16-21(26)25-12-10-24(11-13-25)20-6-4-5-9-22-20/h4-9,14H,10-13,15-16H2,1-3H3/p+2