methyl 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoate

Systemtic Name: methyl 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoate Openeye Name: methyl 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoate CAS Name: 3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoate Traditional Name: 3-(4-pyridin-1-ium-2-ylpiperazino)propionic acid methyl ester Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

COC(=O)CCN1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C13H19N3O2/c1-18-13(17)5-7-15-8-10-16(11-9-15)12-4-2-3-6-14-12/h2-4,6H,5,7-11H2,1H3/p+1