[4-[bis(fluoranyl)methoxy]phenyl]-(cyclopropylmethoxy)-[3-[2-(oxan-2-yl)-1,2,3,4-tetrazol-5-yl]phenyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [4-[bis(fluoranyl)methoxy]phenyl]-(cyclopropylmethoxy)-[3-[2-(oxan-2-yl)-1,2,3,4-tetrazol-5-yl]phenyl]-(pyridin-3-ylmethyl)azanium Openeye Name: cyclopropylmethoxy-[4-(difluoromethoxy)phenyl]-(3-pyridylmethyl)-[3-(2-tetrahydropyran-2-yltetrazol-5-yl)phenyl]ammonium CAS Name: cyclopropylmethoxy-[4-(difluoromethoxy)phenyl]-[3-[2-(2-oxanyl)-5-tetrazolyl]phenyl]-(3-pyridinylmethyl)ammonium IUPAC Name: cyclopropylmethoxy-[4-(difluoromethoxy)phenyl]-[3-[2-(oxan-2-yl)tetrazol-5-yl]phenyl]-(pyridin-3-ylmethyl)azanium Traditional Name: cyclopropylmethoxy-[4-(difluoromethoxy)phenyl]-(3-pyridylmethyl)-[3-(2-tetrahydropyran-2-yltetrazol-5-yl)phenyl]ammonium Formula: C29H31F2N6O3+ MolecularWeight: 549.591646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2N=C(N=N2)C3=CC(=CC=C3)[N+](CC4=CN=CC=C4)(C5=CC=C(C=C5)OC(F)F)OCC6CC6

Isomeric SMILES

C1CCOC(C1)N2N=C(N=N2)C3=CC(=CC=C3)[N+](CC4=CN=CC=C4)(C5=CC=C(C=C5)OC(F)F)OCC6CC6

InChI

InChI=1S/C29H31F2N6O3/c30-29(31)40-26-13-11-24(12-14-26)37(39-20-21-9-10-21,19-22-5-4-15-32-18-22)25-7-3-6-23(17-25)28-33-35-36(34-28)27-8-1-2-16-38-27/h3-7,11-15,17-18,21,27,29H,1-2,8-10,16,19-20H2/q+1