(6-chloranylquinolin-2-yl)methyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium

Systemtic Name: (6-chloranylquinolin-2-yl)methyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium Openeye Name: (6-chloro-2-quinolyl)methyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium CAS Name: (6-chloro-2-quinolinyl)methyl-[(1S)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: (6-chloroquinolin-2-yl)methyl-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]azanium Traditional Name: (6-chloro-2-quinolyl)methyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium Formula: C22H22ClN4+ MolecularWeight: 377.88988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(C)[NH2+]CC3=NC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)[C@H](C)[NH2+]CC3=NC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN4/c1-15(21-14-25-27(16(21)2)20-6-4-3-5-7-20)24-13-19-10-8-17-12-18(23)9-11-22(17)26-19/h3-12,14-15,24H,13H2,1-2H3/p+1/t15-/m0/s1