methyl 6-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 6-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carboxylate Openeye Name: methyl 6-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carboxylate CAS Name: 6-(4-phenyl-1-piperazinyl)-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 6-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carboxylate Traditional Name: 6-(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+]=C(C=C1)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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