1,3,5-trimethyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidine

Systemtic Name: 1,3,5-trimethyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidine Openeye Name: 1,3,5-trimethyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidine CAS Name: 1,3,5-trimethyl-7-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pyrazolo[4,3-d]pyrimidine IUPAC Name: 1,3,5-trimethyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidine Traditional Name: 1,3,5-trimethyl-7-(4-pyridin-1-ium-2-ylpiperazino)pyrazolo[4,3-d]pyrimidine Formula: C17H22N7+ MolecularWeight: 324.40348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N=C2N3CCN(CC3)C4=CC=CC=[NH+]4)C)C

Isomeric SMILES

CC1=NN(C2=C1N=C(N=C2N3CCN(CC3)C4=CC=CC=[NH+]4)C)C

InChI

InChI=1S/C17H21N7/c1-12-15-16(22(3)21-12)17(20-13(2)19-15)24-10-8-23(9-11-24)14-6-4-5-7-18-14/h4-7H,8-11H2,1-3H3/p+1