(3S)-1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-N-[3-(1-pyrazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Formula: C21H26ClN6O+ MolecularWeight: 413.92374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCCC(C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4)Cl)C

InChI

InChI=1S/C21H25ClN6O/c1-15-19(20(22)26(2)25-15)14-27-10-4-6-16(13-27)21(29)24-17-7-3-8-18(12-17)28-11-5-9-23-28/h3,5,7-9,11-12,16H,4,6,10,13-14H2,1-2H3,(H,24,29)/p+1/t16-/m0/s1