6-[(3S)-3-phenylpiperazin-4-ium-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[(3S)-3-phenylpiperazin-4-ium-1-yl]pyridine-3-carboxylic acid Openeye Name: 6-[(3S)-3-phenylpiperazin-4-ium-1-yl]pyridine-3-carboxylic acid CAS Name: 6-[(3S)-3-phenyl-1-piperazin-4-iumyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[(3S)-3-phenylpiperazin-4-ium-1-yl]pyridine-3-carboxylic acid Traditional Name: 6-[(3S)-3-phenylpiperazin-4-ium-1-yl]nicotinic acid Formula: C16H18N3O2+ MolecularWeight: 284.33302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH2+]1)C2=CC=CC=C2)C3=NC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(C[C@@H]([NH2+]1)C2=CC=CC=C2)C3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H17N3O2/c20-16(21)13-6-7-15(18-10-13)19-9-8-17-14(11-19)12-4-2-1-3-5-12/h1-7,10,14,17H,8-9,11H2,(H,20,21)/p+1/t14-/m1/s1