methyl 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzoate

Systemtic Name: methyl 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzoate Openeye Name: methyl 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzoate CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzoate Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazino)benzoic acid methyl ester Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H19N3O2/c1-22-17(21)14-6-2-3-7-15(14)19-10-12-20(13-11-19)16-8-4-5-9-18-16/h2-9H,10-13H2,1H3/p+1