(3R)-4-[(5-chloranyl-1-methyl-imidazol-2-yl)methyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(5-chloranyl-1-methyl-imidazol-2-yl)methyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-4-ium-2-one Openeye Name: (3R)-4-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-4-ium-2-one CAS Name: (3R)-4-[(5-chloro-1-methyl-2-imidazolyl)methyl]-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-4-ium-2-one Traditional Name: (3R)-4-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-4-ium-2-one Formula: C20H24ClN6O+ MolecularWeight: 399.89716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCC[NH+]3CC4=NC=C(N4C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)[C@@H]3C(=O)NCC[NH+]3CC4=NC=C(N4C)Cl

InChI

InChI=1S/C20H23ClN6O/c1-13-18(14(2)27(24-13)15-7-5-4-6-8-15)19-20(28)22-9-10-26(19)12-17-23-11-16(21)25(17)3/h4-8,11,19H,9-10,12H2,1-3H3,(H,22,28)/p+1/t19-/m1/s1