(2S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(1-isopropylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-N-[3-(1-pyrazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(1-isopropylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C21H27N6O+ MolecularWeight: 379.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+]2CCCC2C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+]2CCC[C@H]2C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C21H26N6O/c1-16(2)27-15-17(13-23-27)14-25-10-4-8-20(25)21(28)24-18-6-3-7-19(12-18)26-11-5-9-22-26/h3,5-7,9,11-13,15-16,20H,4,8,10,14H2,1-2H3,(H,24,28)/p+1/t20-/m0/s1