N-[3-(3-azanyl-4-cyano-1H-pyrazol-2-ium-5-yl)propyl]-2-(2,4-dimethylquinolin-3-yl)ethanamide

Systemtic Name: N-[3-(3-azanyl-4-cyano-1H-pyrazol-2-ium-5-yl)propyl]-2-(2,4-dimethylquinolin-3-yl)ethanamide Openeye Name: N-[3-(3-amino-4-cyano-1H-pyrazol-2-ium-5-yl)propyl]-2-(2,4-dimethyl-3-quinolyl)acetamide CAS Name: N-[3-(3-amino-4-cyano-1H-pyrazol-2-ium-5-yl)propyl]-2-(2,4-dimethyl-3-quinolinyl)acetamide IUPAC Name: N-[3-(3-amino-4-cyano-1H-pyrazol-2-ium-5-yl)propyl]-2-(2,4-dimethylquinolin-3-yl)acetamide Traditional Name: N-[3-(3-amino-4-cyano-1H-pyrazol-2-ium-5-yl)propyl]-2-(2,4-dimethyl-3-quinolyl)acetamide Formula: C20H23N6O+ MolecularWeight: 363.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)NCCCC3=C(C(=[NH+]N3)N)C#N

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)NCCCC3=C(C(=[NH+]N3)N)C#N

InChI

InChI=1S/C20H22N6O/c1-12-14-6-3-4-7-17(14)24-13(2)15(12)10-19(27)23-9-5-8-18-16(11-21)20(22)26-25-18/h3-4,6-7H,5,8-10H2,1-2H3,(H,23,27)(H3,22,25,26)/p+1