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

Systemtic Name: methyl 3-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoate Openeye Name: methyl 3-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoate CAS Name: 3-[4-(2-quinolin-1-iumyl)-1-piperazin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoate Traditional Name: 3-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)propionic acid methyl ester Formula: C17H23N3O2+2 MolecularWeight: 301.38342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC[NH+]1CCN(CC1)C2=[NH+]C3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)CC[NH+]1CCN(CC1)C2=[NH+]C3=CC=CC=C3C=C2

InChI

InChI=1S/C17H21N3O2/c1-22-17(21)8-9-19-10-12-20(13-11-19)16-7-6-14-4-2-3-5-15(14)18-16/h2-7H,8-13H2,1H3/p+2