2-methyl-3-phenyl-9-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline

Systemtic Name: 2-methyl-3-phenyl-9-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline Openeye Name: 2-methyl-3-phenyl-9-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline CAS Name: 2-methyl-3-phenyl-9-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline IUPAC Name: 2-methyl-3-phenyl-9-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline Traditional Name: 2-methyl-3-phenyl-9-(4-pyridin-1-ium-2-ylpiperazino)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline Formula: C26H29N6+ MolecularWeight: 425.54866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=C1C3=CC=CC=C3)N=C4CCCCC4=C2N5CCN(CC5)C6=CC=CC=[NH+]6

Isomeric SMILES

CC1=NN2C(=C1C3=CC=CC=C3)N=C4CCCCC4=C2N5CCN(CC5)C6=CC=CC=[NH+]6

InChI

InChI=1S/C26H28N6/c1-19-24(20-9-3-2-4-10-20)25-28-22-12-6-5-11-21(22)26(32(25)29-19)31-17-15-30(16-18-31)23-13-7-8-14-27-23/h2-4,7-10,13-14H,5-6,11-12,15-18H2,1H3/p+1