N-[1-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[1-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-3-fluoranyl-benzamide Openeye Name: N-[1-[(1-cyclohexyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-3-fluoro-benzamide CAS Name: N-[1-[(1-cyclohexyl-5-tetrazolyl)methyl]-4-piperidin-1-iumyl]-3-fluorobenzamide IUPAC Name: N-[1-[(1-cyclohexyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-3-fluorobenzamide Traditional Name: N-[1-[(1-cyclohexyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-3-fluoro-benzamide Formula: C20H28FN6O+ MolecularWeight: 387.474323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)C[NH+]3CCC(CC3)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)C[NH+]3CCC(CC3)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C20H27FN6O/c21-16-6-4-5-15(13-16)20(28)22-17-9-11-26(12-10-17)14-19-23-24-25-27(19)18-7-2-1-3-8-18/h4-6,13,17-18H,1-3,7-12,14H2,(H,22,28)/p+1