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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazol-5-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-benzyl-3-methyl-thieno[2,3-c]pyrazol-5-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[3-methyl-1-(phenylmethyl)-5-thieno[2,3-c]pyrazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-benzyl-3-methylthieno[2,3-c]pyrazol-5-yl)methanone Traditional Name: (1-benzyl-3-methyl-thieno[2,3-c]pyrazol-5-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C26H27N4O3S+ MolecularWeight: 475.58258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)CC6=CC=CC=C6

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)CC6=CC=CC=C6

InChI

InChI=1S/C26H26N4O3S/c1-18-21-14-24(34-26(21)30(27-18)16-19-5-3-2-4-6-19)25(31)29-11-9-28(10-12-29)15-20-7-8-22-23(13-20)33-17-32-22/h2-8,13-14H,9-12,15-17H2,1H3/p+1