N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-8-nitro-isoquinolin-5-amine

Systemtic Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-8-nitro-isoquinolin-5-amine Openeye Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-8-nitro-isoquinolin-5-amine CAS Name: N-[(2R)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-8-nitro-5-isoquinolinamine IUPAC Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-8-nitroisoquinolin-5-amine Traditional Name: [(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-(8-nitro-5-isoquinolyl)amine Formula: C21H22FN4O3+ MolecularWeight: 397.422783

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4O3/c22-16-3-1-15(2-4-16)21(25-9-11-29-12-10-25)14-24-19-5-6-20(26(27)28)18-13-23-8-7-17(18)19/h1-8,13,21,24H,9-12,14H2/p+1/t21-/m0/s1