(2S)-1-[2-(methylamino)pyridin-1-ium-4-yl]carbonyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[2-(methylamino)pyridin-1-ium-4-yl]carbonyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[2-(methylamino)pyridin-1-ium-4-carbonyl]-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-[[2-(methylamino)-4-pyridin-1-iumyl]-oxomethyl]-N-[4-(1-pyrazolyl)phenyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[2-(methylamino)pyridin-1-ium-4-carbonyl]-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[2-(methylamino)pyridin-1-ium-4-carbonyl]-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide Formula: C21H23N6O2+ MolecularWeight: 391.44632

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=[NH+]C=CC(=C1)C(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CNC1=[NH+]C=CC(=C1)C(=O)N2CCC[C@H]2C(=O)NC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H22N6O2/c1-22-19-14-15(9-11-23-19)21(29)26-12-2-4-18(26)20(28)25-16-5-7-17(8-6-16)27-13-3-10-24-27/h3,5-11,13-14,18H,2,4,12H2,1H3,(H,22,23)(H,25,28)/p+1/t18-/m0/s1