4-phenyl-1-[3-(1-phenyl-1-pyridin-3-yl-1,2,3,4-tetrazol-1-ium-5-yl)propyl]piperidine-4-carboxylic acid

Systemtic Name: 4-phenyl-1-[3-(1-phenyl-1-pyridin-3-yl-1,2,3,4-tetrazol-1-ium-5-yl)propyl]piperidine-4-carboxylic acid Openeye Name: 4-phenyl-1-[3-[1-phenyl-1-(3-pyridyl)tetrazol-1-ium-5-yl]propyl]piperidine-4-carboxylic acid CAS Name: 4-phenyl-1-[3-[1-phenyl-1-(3-pyridinyl)-5-tetrazol-1-iumyl]propyl]-4-piperidinecarboxylic acid IUPAC Name: 4-phenyl-1-[3-(1-phenyl-1-pyridin-3-yltetrazol-1-ium-5-yl)propyl]piperidine-4-carboxylic acid Traditional Name: 4-phenyl-1-[3-[1-phenyl-1-(3-pyridyl)tetrazol-1-ium-5-yl]propyl]isonipecotic acid Formula: C27H29N6O2+ MolecularWeight: 469.55816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)CCCC3=NN=N[N+]3(C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)CCCC3=NN=N[N+]3(C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C27H28N6O2/c34-26(35)27(22-9-3-1-4-10-22)15-19-32(20-16-27)18-8-14-25-29-30-31-33(25,23-11-5-2-6-12-23)24-13-7-17-28-21-24/h1-7,9-13,17,21H,8,14-16,18-20H2/p+1