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

Systemtic Name: 2-methyl-9-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline Openeye Name: 2-methyl-9-[4-(2-methylallyl)piperazin-4-ium-1-yl]-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline CAS Name: 2-methyl-9-[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline IUPAC Name: 2-methyl-9-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline Traditional Name: 2-methyl-9-[4-(2-methylallyl)piperazin-4-ium-1-yl]-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline Formula: C25H32N5+ MolecularWeight: 402.55508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=C1C3=CC=CC=C3)N=C4CCCCC4=C2N5CC[NH+](CC5)CC(=C)C

Isomeric SMILES

CC1=NN2C(=C1C3=CC=CC=C3)N=C4CCCCC4=C2N5CC[NH+](CC5)CC(=C)C

InChI

InChI=1S/C25H31N5/c1-18(2)17-28-13-15-29(16-14-28)25-21-11-7-8-12-22(21)26-24-23(19(3)27-30(24)25)20-9-5-4-6-10-20/h4-6,9-10H,1,7-8,11-17H2,2-3H3/p+1