(4-cyclohexylpiperazin-4-ium-1-yl)-(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)methanone

Systemtic Name: (4-cyclohexylpiperazin-4-ium-1-yl)-(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)methanone Openeye Name: (4-cyclohexylpiperazin-4-ium-1-yl)-(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)methanone CAS Name: (4-cyclohexyl-1-piperazin-4-iumyl)-(3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)methanone IUPAC Name: (4-cyclohexylpiperazin-4-ium-1-yl)-(3-methyl-1-phenylthieno[2,3-c]pyrazol-5-yl)methanone Traditional Name: (4-cyclohexylpiperazin-4-ium-1-yl)-(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)methanone Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)N3CC[NH+](CC3)C4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)N3CC[NH+](CC3)C4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C23H28N4OS/c1-17-20-16-21(29-23(20)27(24-17)19-10-6-3-7-11-19)22(28)26-14-12-25(13-15-26)18-8-4-2-5-9-18/h3,6-7,10-11,16,18H,2,4-5,8-9,12-15H2,1H3/p+1