[6-(azepan-1-yl)-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-yl]methylazanium

Systemtic Name: [6-(azepan-1-yl)-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-yl]methylazanium Openeye Name: [6-(azepan-1-yl)-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-yl]methylammonium CAS Name: [6-(1-azepanyl)-1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl]methylammonium IUPAC Name: [6-(azepan-1-yl)-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]methylazanium Traditional Name: [6-(azepan-1-yl)-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-yl]methylammonium Formula: C15H24N5+ MolecularWeight: 274.38456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC(=C(C=C12)C[NH3+])N3CCCCCC3)C

Isomeric SMILES

CC1=NN(C2=NC(=C(C=C12)C[NH3+])N3CCCCCC3)C

InChI

InChI=1S/C15H23N5/c1-11-13-9-12(10-16)14(17-15(13)19(2)18-11)20-7-5-3-4-6-8-20/h9H,3-8,10,16H2,1-2H3/p+1