6-(4-methoxyphenyl)-2-piperazin-4-ium-1-yl-pyridine-3-carboxylic acid

Systemtic Name: 6-(4-methoxyphenyl)-2-piperazin-4-ium-1-yl-pyridine-3-carboxylic acid Openeye Name: 6-(4-methoxyphenyl)-2-piperazin-4-ium-1-yl-pyridine-3-carboxylic acid CAS Name: 6-(4-methoxyphenyl)-2-(1-piperazin-4-iumyl)-3-pyridinecarboxylic acid IUPAC Name: 6-(4-methoxyphenyl)-2-piperazin-4-ium-1-ylpyridine-3-carboxylic acid Traditional Name: 6-(4-methoxyphenyl)-2-piperazin-4-ium-1-yl-nicotinic acid Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C(=O)O)N3CC[NH2+]CC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C(=O)O)N3CC[NH2+]CC3

InChI

InChI=1S/C17H19N3O3/c1-23-13-4-2-12(3-5-13)15-7-6-14(17(21)22)16(19-15)20-10-8-18-9-11-20/h2-7,18H,8-11H2,1H3,(H,21,22)/p+1