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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazol-5-yl]methanone Openeye Name: (1-benzyl-3-methyl-thieno[2,3-c]pyrazol-5-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[3-methyl-1-(phenylmethyl)-5-thieno[2,3-c]pyrazolyl]methanone IUPAC Name: (1-benzyl-3-methylthieno[2,3-c]pyrazol-5-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (1-benzyl-3-methyl-thieno[2,3-c]pyrazol-5-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC3=C(S2)N(N=C3C)CC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC3=C(S2)N(N=C3C)CC4=CC=CC=C4

InChI

InChI=1S/C20H24N4OS/c1-3-22-9-11-23(12-10-22)19(25)18-13-17-15(2)21-24(20(17)26-18)14-16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3/p+1