dimethyl-[2-[4-(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonylpiperazin-1-ium-1-yl]ethyl]azanium

Systemtic Name: dimethyl-[2-[4-(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonylpiperazin-1-ium-1-yl]ethyl]azanium Openeye Name: dimethyl-[2-[4-(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)piperazin-1-ium-1-yl]ethyl]ammonium CAS Name: dimethyl-[2-[4-[(3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]ammonium IUPAC Name: dimethyl-[2-[4-(3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carbonyl)piperazin-1-ium-1-yl]ethyl]azanium Traditional Name: dimethyl-[2-[4-(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)piperazin-1-ium-1-yl]ethyl]ammonium Formula: C21H29N5OS+2 MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5OS/c1-16-18-15-19(28-21(18)26(22-16)17-7-5-4-6-8-17)20(27)25-13-11-24(12-14-25)10-9-23(2)3/h4-8,15H,9-14H2,1-3H3/p+2