methyl 3-(6-piperazin-4-ium-1-ylpyridin-2-yl)benzoate

Systemtic Name: methyl 3-(6-piperazin-4-ium-1-ylpyridin-2-yl)benzoate Openeye Name: methyl 3-(6-piperazin-4-ium-1-yl-2-pyridyl)benzoate CAS Name: 3-[6-(1-piperazin-4-iumyl)-2-pyridinyl]benzoic acid methyl ester IUPAC Name: methyl 3-(6-piperazin-4-ium-1-ylpyridin-2-yl)benzoate Traditional Name: 3-(6-piperazin-4-ium-1-yl-2-pyridyl)benzoic acid methyl ester Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C2=NC(=CC=C2)N3CC[NH2+]CC3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C2=NC(=CC=C2)N3CC[NH2+]CC3

InChI

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