[4-phenyl-1-[3-(1-phenyl-1-pyridin-3-yl-1,2,3,4-tetrazol-1-ium-5-yl)propyl]piperidin-4-yl]methanol

Systemtic Name: [4-phenyl-1-[3-(1-phenyl-1-pyridin-3-yl-1,2,3,4-tetrazol-1-ium-5-yl)propyl]piperidin-4-yl]methanol Openeye Name: [4-phenyl-1-[3-[1-phenyl-1-(3-pyridyl)tetrazol-1-ium-5-yl]propyl]-4-piperidyl]methanol CAS Name: [4-phenyl-1-[3-[1-phenyl-1-(3-pyridinyl)-5-tetrazol-1-iumyl]propyl]-4-piperidinyl]methanol IUPAC Name: [4-phenyl-1-[3-(1-phenyl-1-pyridin-3-yltetrazol-1-ium-5-yl)propyl]piperidin-4-yl]methanol Traditional Name: [4-phenyl-1-[3-[1-phenyl-1-(3-pyridyl)tetrazol-1-ium-5-yl]propyl]-4-piperidyl]methanol Formula: C27H31N6O+ MolecularWeight: 455.57464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N6O/c34-22-27(23-9-3-1-4-10-23)15-19-32(20-16-27)18-8-14-26-29-30-31-33(26,24-11-5-2-6-12-24)25-13-7-17-28-21-25/h1-7,9-13,17,21,34H,8,14-16,18-20,22H2/q+1