[(1R)-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylazaniumyl]-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylazaniumyl]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylammonio]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylammonio]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylazaniumyl]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylammonio]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C20H28N4S+2 MolecularWeight: 356.52812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH2+]CC(C3=CC=CS3)[NH+](C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH2+]C[C@H](C3=CC=CS3)[NH+](C)C

InChI

InChI=1S/C20H26N4S/c1-15-18(16(2)24(22-15)17-9-6-5-7-10-17)13-21-14-19(23(3)4)20-11-8-12-25-20/h5-12,19,21H,13-14H2,1-4H3/p+2/t19-/m1/s1