3-chloranyl-2-methyl-5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]quinazoline

Systemtic Name: 3-chloranyl-2-methyl-5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]quinazoline Openeye Name: 3-chloro-2-methyl-5-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]quinazoline CAS Name: 3-chloro-2-methyl-5-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]pyrazolo[1,5-a]quinazoline IUPAC Name: 3-chloro-2-methyl-5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]quinazoline Traditional Name: 3-chloro-2-methyl-5-[4-(3-thenyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]quinazoline Formula: C20H21ClN5S+ MolecularWeight: 398.93224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C3=CC=CC=C3C(=NC2=C1Cl)N4CC[NH+](CC4)CC5=CSC=C5

Isomeric SMILES

CC1=NN2C3=CC=CC=C3C(=NC2=C1Cl)N4CC[NH+](CC4)CC5=CSC=C5

InChI

InChI=1S/C20H20ClN5S/c1-14-18(21)20-22-19(16-4-2-3-5-17(16)26(20)23-14)25-9-7-24(8-10-25)12-15-6-11-27-13-15/h2-6,11,13H,7-10,12H2,1H3/p+1