4-(morpholin-4-ium-4-ylmethyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide

Systemtic Name: 4-(morpholin-4-ium-4-ylmethyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide Openeye Name: N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide CAS Name: 4-(4-morpholin-4-iumylmethyl)-N-(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)benzamide IUPAC Name: 4-(morpholin-4-ium-4-ylmethyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide Traditional Name: N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C21H25N5O2/c1-15(2)26-20-18(12-23-26)11-19(13-22-20)24-21(27)17-5-3-16(4-6-17)14-25-7-9-28-10-8-25/h3-6,11-13,15H,7-10,14H2,1-2H3,(H,24,27)/p+1