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

Systemtic Name: (3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)methanone CAS Name: (3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-methyl-1-phenylthieno[2,3-c]pyrazol-5-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)methanone Formula: C24H25N4OS+ MolecularWeight: 417.5465

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H24N4OS/c1-18-21-16-22(30-24(21)28(25-18)20-10-6-3-7-11-20)23(29)27-14-12-26(13-15-27)17-19-8-4-2-5-9-19/h2-11,16H,12-15,17H2,1H3/p+1