1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]triazole-4-carboxamide CAS Name: 1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-triazolecarboxamide IUPAC Name: 1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]triazole-4-carboxamide Traditional Name: 1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]triazole-4-carboxamide Formula: C21H29FN5O+ MolecularWeight: 386.486263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C=C(N=N2)C(=O)NCC(C3=CC=C(C=C3)F)[NH+]4CCCC4

Isomeric SMILES

C1CCC(CC1)N2C=C(N=N2)C(=O)NC[C@@H](C3=CC=C(C=C3)F)[NH+]4CCCC4

InChI

InChI=1S/C21H28FN5O/c22-17-10-8-16(9-11-17)20(26-12-4-5-13-26)14-23-21(28)19-15-27(25-24-19)18-6-2-1-3-7-18/h8-11,15,18,20H,1-7,12-14H2,(H,23,28)/p+1/t20-/m0/s1