1-[(R)-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-(4-fluorophenyl)methyl]azepan-1-ium

Systemtic Name: 1-[(R)-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-(4-fluorophenyl)methyl]azepan-1-ium Openeye Name: 1-[(R)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]azepan-1-ium CAS Name: 1-[(R)-(1-cyclohexyl-5-tetrazolyl)-(4-fluorophenyl)methyl]azepan-1-ium IUPAC Name: 1-[(R)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]azepan-1-ium Traditional Name: 1-[(R)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]azepan-1-ium Formula: C20H29FN5+ MolecularWeight: 358.476163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C2=CC=C(C=C2)F)C3=NN=NN3C4CCCCC4

Isomeric SMILES

C1CCC[NH+](CC1)[C@H](C2=CC=C(C=C2)F)C3=NN=NN3C4CCCCC4

InChI

InChI=1S/C20H28FN5/c21-17-12-10-16(11-13-17)19(25-14-6-1-2-7-15-25)20-22-23-24-26(20)18-8-4-3-5-9-18/h10-13,18-19H,1-9,14-15H2/p+1/t19-/m1/s1