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

Systemtic Name: dimethyl-[(1R)-2-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methylazaniumyl]-1-thiophen-2-yl-ethyl]azanium Openeye Name: [(1R)-2-[(1-benzyl-3-phenyl-pyrazol-4-yl)methylammonio]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1R)-2-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methylammonio]-1-thiophen-2-ylethyl]ammonium IUPAC Name: [(1R)-2-[(1-benzyl-3-phenylpyrazol-4-yl)methylazaniumyl]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[(1-benzyl-3-phenyl-pyrazol-4-yl)methylammonio]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C25H30N4S+2 MolecularWeight: 418.5975

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(C[NH2+]CC1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C[NH+](C)[C@H](C[NH2+]CC1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C25H28N4S/c1-28(2)23(24-14-9-15-30-24)17-26-16-22-19-29(18-20-10-5-3-6-11-20)27-25(22)21-12-7-4-8-13-21/h3-15,19,23,26H,16-18H2,1-2H3/p+2/t23-/m1/s1