6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridine-3-carboxylic acid Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)pyridine-3-carboxylic acid CAS Name: 6-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-pyridinecarboxylic acid IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)pyridine-3-carboxylic acid Traditional Name: 6-(4-benzylpiperazin-4-ium-1-yl)nicotinic acid Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H19N3O2/c21-17(22)15-6-7-16(18-12-15)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,22)/p+1