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

Systemtic Name: ethyl 4-phenyl-1-[3-(1-phenyl-1-pyridin-3-yl-1,2,3,4-tetrazol-1-ium-5-yl)propyl]piperidine-4-carboxylate Openeye Name: ethyl 4-phenyl-1-[3-[1-phenyl-1-(3-pyridyl)tetrazol-1-ium-5-yl]propyl]piperidine-4-carboxylate CAS Name: 4-phenyl-1-[3-[1-phenyl-1-(3-pyridinyl)-5-tetrazol-1-iumyl]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-1-[3-(1-phenyl-1-pyridin-3-yltetrazol-1-ium-5-yl)propyl]piperidine-4-carboxylate Traditional Name: 4-phenyl-1-[3-[1-phenyl-1-(3-pyridyl)tetrazol-1-ium-5-yl]propyl]isonipecotic acid ethyl ester Formula: C29H33N6O2+ MolecularWeight: 497.61132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCCC2=NN=N[N+]2(C3=CC=CC=C3)C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CCCC2=NN=N[N+]2(C3=CC=CC=C3)C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H33N6O2/c1-2-37-28(36)29(24-11-5-3-6-12-24)17-21-34(22-18-29)20-10-16-27-31-32-33-35(27,25-13-7-4-8-14-25)26-15-9-19-30-23-26/h3-9,11-15,19,23H,2,10,16-18,20-22H2,1H3/q+1