2-(3-chlorophenyl)-9-piperazin-4-ium-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline

Systemtic Name: 2-(3-chlorophenyl)-9-piperazin-4-ium-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline Openeye Name: 2-(3-chlorophenyl)-9-piperazin-4-ium-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline CAS Name: 2-(3-chlorophenyl)-9-(1-piperazin-4-iumyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline IUPAC Name: 2-(3-chlorophenyl)-9-piperazin-4-ium-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline Traditional Name: 2-(3-chlorophenyl)-9-piperazin-4-ium-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline Formula: C20H23ClN5+ MolecularWeight: 368.88312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=CC(=NN3C(=C2C1)N4CC[NH2+]CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCC2=NC3=CC(=NN3C(=C2C1)N4CC[NH2+]CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C20H22ClN5/c21-15-5-3-4-14(12-15)18-13-19-23-17-7-2-1-6-16(17)20(26(19)24-18)25-10-8-22-9-11-25/h3-5,12-13,22H,1-2,6-11H2/p+1