(2R)-1-cyclohexyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-cyclohexyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-1-cyclohexyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-1-cyclohexyl-N-[3-(1-pyrazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-cyclohexyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-1-cyclohexyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCC2C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC[C@@H]2C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C20H26N4O/c25-20(19-11-5-13-23(19)17-8-2-1-3-9-17)22-16-7-4-10-18(15-16)24-14-6-12-21-24/h4,6-7,10,12,14-15,17,19H,1-3,5,8-9,11,13H2,(H,22,25)/p+1/t19-/m1/s1