dimethyl-[(1R)-2-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonylamino]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonylamino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]-1-(2-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[[(3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-oxomethyl]amino]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[(3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carbonyl)amino]-1-thiophen-2-ylethyl]azanium Traditional Name: dimethyl-[(1R)-2-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]-1-(2-thienyl)ethyl]ammonium Formula: C21H23N4OS2+ MolecularWeight: 411.56352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NCC(C3=CC=CS3)[NH+](C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NC[C@H](C3=CC=CS3)[NH+](C)C)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS2/c1-14-16-12-19(28-21(16)25(23-14)15-8-5-4-6-9-15)20(26)22-13-17(24(2)3)18-10-7-11-27-18/h4-12,17H,13H2,1-3H3,(H,22,26)/p+1/t17-/m1/s1