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

Systemtic Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]-8-nitro-isoquinolin-5-amine Openeye Name: N-[(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]-8-nitro-isoquinolin-5-amine CAS Name: N-[(2S)-2-(5-methyl-2-furanyl)-2-(4-morpholin-4-iumyl)ethyl]-8-nitro-5-isoquinolinamine IUPAC Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-ylethyl]-8-nitroisoquinolin-5-amine Traditional Name: [(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]-(8-nitro-5-isoquinolyl)amine Formula: C20H23N4O4+ MolecularWeight: 383.42102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])[NH+]4CCOCC4

InChI

InChI=1S/C20H22N4O4/c1-14-2-5-20(28-14)19(23-8-10-27-11-9-23)13-22-17-3-4-18(24(25)26)16-12-21-7-6-15(16)17/h2-7,12,19,22H,8-11,13H2,1H3/p+1/t19-/m0/s1