methyl 2-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 2-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carboxylate Openeye Name: methyl 2-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carboxylate CAS Name: 2-(4-phenyl-1-piperazinyl)-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 2-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carboxylate Traditional Name: 2-(4-phenylpiperazino)pyridin-1-ium-3-carboxylic acid methyl ester Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=C3

InChI

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